Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.61 |
| ▸ | AXL | P30530 | 1/20 | 0.61 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.61 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.61 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13862929 | 0.88 | KDM4E (0.68) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL5377137 | 0.84 | CYP19A1 (0.61) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL2434206 | 0.84 | CYP19A1 (0.61) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL28207213 | 0.84 | KDM4E (0.64) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL12604330 | 0.83 | CYP2E1 (0.59) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Hydrochloric Acid SCHEMBL5009763 | 0.83 | CYP19A1 (0.59) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL7106338 | 0.83 | KDM4E (0.62) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL153338 | 0.81 | HPGD (0.60) | KDM4EGAARAB9AALDH1A1HPGD | |
| SCHEMBL6760692 | 0.81 | RAB9A (0.56) | KDM4EGAACYP19A1RAB9AALDH1A1 | |
| SCHEMBL6377339 | 0.80 | CYP19A1 (0.61) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4080457-A | INSECTICIDES, PESTICIDES, MITICIDES | UNIROYAL CHEMICAL COMPANY, INC. | 1978-03-21 | — | — | US | claimed |
| EP-2220084-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | GILEAD SCIENCES INC (US) | 2014-02-19 | — | — | EP | disclosed |
| US-8501786-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-08-06 | — | — | US | disclosed |
| US-8461180-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-8309571-B2 | Heterobicyclic compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-13 | — | — | US | disclosed |
| EP-1697348-B1 | HIV PROTEASE INHIBITING COMPOUNDS | ABBOTT LAB (US) | 2011-12-28 | — | — | EP | disclosed |
| US-20110190292-A1 | HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2011-08-04 | — | — | US | disclosed |
| US-7943617-B2 | Especially p38 MAP kinase alpha and beta; 2,4-difluorophenyl(3-(2-(trifluoromethyl)phenyl)-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)methanone | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-17 | — | — | US | disclosed |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | US | disclosed |
| US-7879851-B2 | such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-01 | — | — | US | disclosed |
| US-20100240890-A1 | Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same | DONG WHA PHARMACEUTICAL IND. CO., LTD. | 2010-09-23 | — | — | US | disclosed |
| US-7696226-B2 | HIV protease inhibiting compounds | ABBOTT LABORATORIES (US) | 2010-04-13 | — | — | US | disclosed |
| US-20090170859-A1 | Viral Polymerase Inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-07-02 | — | — | US | disclosed |
| US-20080312435-A1 | Imine Compound | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2008-12-18 | — | — | US | disclosed |
| US-20080275052-A1 | HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2008-11-06 | — | — | US | disclosed |
| US-20050159469-A1 | HIV protease inhibiting compounds | ABBVIE INC. | 2005-07-21 | — | — | US | disclosed |
| US-4260765-A | APHIDICIDES | UNIROYAL, INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4080457-A | INSECTICIDES, PESTICIDES, MITICIDES | UNIROYAL CHEMICAL COMPANY, INC. | 1978-03-21 | — | — | 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 (7 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-20080275052-A1 | HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS | MAP2K2, MAP2K6, MAP2K1 | CYP2E1 675/4885CYP3A4 1328/4885CYP2A6 942/4885 |
| US-20080312435-A1 | Imine Compound | CNR1, CNR2, HRH4 | CYP2E1 448/4885CYP3A4 1324/4885CYP2A6 846/4885 |
| US-20110190292-A1 | HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS | MAP2K2, MAP2K6, MAP2K1 | CYP2E1 675/4885CYP3A4 1328/4885CYP2A6 942/4885 |
| US-20050159469-A1 | HIV protease inhibiting compounds | SERPINB1, HPN, DNPEP | CYP2E1 2016/4885CYP3A4 764/4885CYP2A6 1882/4885 |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP2E1 297/4885CYP3A4 387/4885CYP2A6 948/4885 |
| US-20090170859-A1 | Viral Polymerase Inhibitors | POLR2A, POLR1E, RPP30 | CYP2E1 1612/4885CYP3A4 1785/4885CYP2A6 2505/4885 |
| US-20100240890-A1 | Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same | CMA1, IL5, HRH4 | CYP2E1 308/4885CYP3A4 119/4885CYP2A6 505/4885 |
“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.