Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | PER2 | O15055 | 1/20 | 0.43 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.43 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18195193 | 0.80 | MAOA (0.53) | MAOAMAOBNOTUMDRD2DRD1 | |
| SCHEMBL9252075 | 0.76 | HRH3 (0.44) | MAOAMAOBPER2CRY1CRY2 | |
| SCHEMBL29275488 | 0.76 | BRD4 (0.41) | BRD4HSD17B3 | |
| SCHEMBL29961793 | 0.76 | BRD4 (0.41) | BRD4HSD17B3 | |
| SCHEMBL24568877 | 0.75 | NOTUM (0.41) | MAOAMAOBPER2CRY1CRY2 | |
| SCHEMBL14573056 | 0.71 | MAOA (0.56) | MAOAMAOBNOTUMDRD2DRD1 | |
| SCHEMBL130712 | 0.71 | MAOA (0.71) | MAOAMAOBNOTUMDRD2DRD1 | |
| SCHEMBL8157650 | 0.71 | BRD4 (0.50) | MAOAMAOBPER2CRY1CRY2 | |
| SCHEMBL3319807 | 0.71 | DRD4 (0.42) | MAOAMAOBPER2CRY1CRY2 | |
| Bromide SCHEMBL2646357 | 0.69 | MAOA (0.68) | MAOAMAOBNOTUMDRD2DRD1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022222951-A1 | AROMATIC CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2022-10-27 | — | — | WO | disclosed |
| WO-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| WO-2019116231-A1 | NRF2 ACTIVATOR FOR THE TREATMENT OF ACUTE LUNG INJURY, ACUTE RESPIRATORY DISTRESS SYNDROME AND MULTIPLE ORGAN DYSFUNCTION SYNDROME | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-06-20 | — | — | WO | disclosed |
| US-20190002454-A1 | NRF2 Regulators | GLAXOSMITHKLINE IP DEV LTD (GB) | 2019-01-03 | — | — | US | disclosed |
| US-20160318917-A1 | NRF2 REGULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2016-11-03 | — | — | US | disclosed |
| US-8895560-B2 | Opioid antagonists | ADOLOR CORPORATION (US) | 2014-11-25 | — | — | US | disclosed |
| US-20140186951-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2014-07-03 | — | — | US | disclosed |
| US-8580788-B2 | Opioid antagonists | ADOLOR CORPORATION (US) | 2013-11-12 | — | — | US | disclosed |
| US-20120231543-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2012-09-13 | — | — | US | disclosed |
| US-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2012-06-28 | — | — | US | disclosed |
| US-8071611-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-12-06 | — | — | US | disclosed |
| US-8022060-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-09-20 | — | — | US | disclosed |
| US-20110218186-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2011-09-08 | — | — | US | disclosed |
| US-20100029614-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-02-04 | — | — | US | disclosed |
| US-7598261-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080119452-A1 | METHODS FOR ENHANCING COGNITIVE FUNCTION | CALIXA THERAPEUTICS, INC. | 2008-05-22 | — | — | US | disclosed |
| US-7338962-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| US-20070105863-A1 | e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction | MERCK SHARP & DOHME LLC | 2007-05-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120231543-A1 | NOVEL OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRL1 | MAOA 188/4885MAOB 214/4885PER2 2338/4885 |
| US-20190002454-A1 | NRF2 Regulators | NFE2L2, KEAP1, NQO1 | MAOA 1507/4885MAOB 1303/4885PER2 696/4885 |
| US-20110218186-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | MAOA 514/4885MAOB 704/4885PER2 2229/4885 |
| US-20160318917-A1 | NRF2 REGULATORS | NFE2L2, KEAP1, NQO1 | MAOA 1507/4885MAOB 1303/4885PER2 696/4885 |
| US-20080119452-A1 | METHODS FOR ENHANCING COGNITIVE FUNCTION | CHAT, GRIN2C, GRIN2A | MAOA 146/4885MAOB 132/4885PER2 2346/4885 |
| US-20100029614-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | MAOA 514/4885MAOB 704/4885PER2 2229/4885 |
| US-20070105863-A1 | e.g. 1-(8-(3-hydroxyphenyl)-7,8-dimethyl-hexahydro-1H-pyrido[1,2- alpha ]pyrazin-2(6H)-yl)-2-phenylethanone; analgesics; gastrointestinal dysfunction, post-surgical recovery; side effect reduction | OPRK1, OPRD1, OPRM1 | MAOA 507/4885MAOB 490/4885PER2 1814/4885 |
| US-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | MAOA 514/4885MAOB 704/4885PER2 2229/4885 |
| US-20140186951-A1 | NOVEL OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRL1 | MAOA 188/4885MAOB 214/4885PER2 2338/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.