Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28006239 | 0.96 | CYP1A2 (0.55) | PTGS1AKR1C3AKR1C2CYP1A2KDM4E | |
| SCHEMBL8155849 | 0.84 | CYP1A2 (0.60) | PTGS1AKR1C3AKR1C2CYP1A2KDM4E | |
| SCHEMBL30872875 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2A6TTR | |
| SCHEMBL5885608 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2A6TTR | |
| SCHEMBL6336756 | 0.82 | TTR (0.57) | PTGS1AKR1C3AKR1C2CYP1A2KDM4E | |
| (Chloromethyl)Benzene SCHEMBL29265517 | 0.81 | CYP1A2 (0.68) | PTGS1AKR1C3AKR1C2CYP1A2NPC1 | |
| SCHEMBL2056268 | 0.81 | AKR1C3 (0.59) | PTGS1AKR1C3AKR1C2CYP1A2KDM4E | |
| SCHEMBL13096 | 0.80 | IDO1 (0.58) | KDM4ETP53CYP3A4MAPTSMN1; SMN2 | |
| SCHEMBL14436807 | 0.79 | PTGS1 (0.58) | PTGS1AKR1C3AKR1C2CYP1A2KDM4E | |
| SCHEMBL4670544 | 0.79 | PTGS1 (0.58) | PTGS1AKR1C3AKR1C2CYP1A2KDM4E |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429259-B | Fluorine-containing compound and application thereof | 中国科学院上海有机化学研究所 | 2023-03-24 | — | — | CN | disclosed |
| US-20220047540-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2022-02-17 | — | — | US | disclosed |
| CN-113429259-A | Fluorine-containing compound and application thereof | 中国科学院上海有机化学研究所 | 2021-09-24 | — | — | CN | disclosed |
| US-20200352898-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2020-11-12 | — | — | US | disclosed |
| US-20190029990-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2019-01-31 | — | — | US | disclosed |
| CN-104470905-B | The miscellaneous azepine * assimilation compounds of substitution | 霍夫曼-拉罗奇有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-104507913-B | The antiproliferative ketone of benzo [b] azepine * 2 | 霍夫曼-拉罗奇有限公司 | 2017-07-28 | — | — | CN | disclosed |
| US-20170165219-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2017-06-15 | — | — | US | disclosed |
| CN-104334525-B | catechol O-methyltransferase activity inhibiting compounds | 奥赖恩公司 | 2017-05-10 | — | — | CN | disclosed |
| EP-2855426-B1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2017-01-04 | — | — | EP | disclosed |
| CN-104470905-A | Substituted hetero-azepinones | HOFFMANN LA ROCHE | 2015-03-25 | — | — | CN | disclosed |
| CN-104470940-A | 2-oxo-2,3,4,5-tetrahydro-1 h-benzo[b]diazepines and their use in the treatment of cancer | HOFFMANN LA ROCHE | 2015-03-25 | — | — | CN | disclosed |
| CN-104334525-A | Catechol o-methyltransferase activity inhibiting compounds | ORION CORP | 2015-02-04 | — | — | CN | disclosed |
| WO-2013175053-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORPORATION (FI) | 2013-11-28 | — | — | WO | disclosed |
| EP-2638008-A1 | LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2013-09-18 | — | — | EP | disclosed |
| US-20130237525-A1 | LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-09-12 | — | — | US | disclosed |
| CN-103201261-A | Lactam derivatives as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2013-07-10 | — | — | CN | disclosed |
| WO-2012063207-A1 | LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-05-18 | — | — | WO | disclosed |
| US-4107329-A | Fluorinated compounds as therapeutics | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-08-15 | — | — | US | disclosed |
| US-3973033-A | Compositions and methods for producing a vasodilatory effect with a naphthyl tetrahydrofurfuryl amino-ester | LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1976-08-03 | — | — | 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 (5 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-20170165219-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | PTGS1 961/4885AKR1C3 398/4885AKR1C2 486/4885 |
| US-20200352898-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | PTGS1 961/4885AKR1C3 398/4885AKR1C2 486/4885 |
| US-20130237525-A1 | LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NPY1R | PTGS1 3037/4885AKR1C3 497/4885AKR1C2 767/4885 |
| US-20190029990-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | PTGS1 961/4885AKR1C3 398/4885AKR1C2 486/4885 |
| US-20220047540-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | PTGS1 961/4885AKR1C3 398/4885AKR1C2 486/4885 |
“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.