Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5666049 | 0.76 | ALDH1A1 (0.59) | ALDH1A1TSHRHPGDGABRA1GABRG2 | |
| SCHEMBL5666673 | 0.76 | TSHR (0.59) | ALDH1A1TSHRGABRA1GABRG2GABRB3 | |
| SCHEMBL14689525 | 0.75 | AKR1C4 (0.40) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL1614866 | 0.74 | AKR1C4 (0.65) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL1311328 | 0.74 | ALDH1A1 (0.50) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL30274279 | 0.73 | ALDH1A1 (0.47) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL10616299 | 0.72 | TTR (0.41) | ALDH1A1TSHRHSD17B10HPGDGABRA1 | |
| SCHEMBL5276291 | 0.72 | ALDH1A1 (0.48) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL3273583 | 0.72 | TSHR (0.59) | ALDH1A1TSHRKDM4E | |
| SCHEMBL9653267 | 0.71 | GABRA1 (0.39) | AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6548507-B1 | Use of sodium channel antagonists in the treatment of diseases mediated or exacerbated by neuronal apoptosis, such as multiple sclerosis; administering drugs such as lamotrigine | SMITHKLINE BEECHAM CORPORATION | 2003-04-15 | — | — | US | disclosed |
| US-6479498-B1 | COMPRISE 2-10 SODIUM CHANNEL LIGANDS COVALENTLY CONNECTED BY A LINKER OR LINKERS | THERAVANCE, INC. | 2002-11-12 | — | — | US | disclosed |
| US-6465461-B1 | 5-AMINO-6-(2,3,5-TRICHLOROPHENYL)-1,2,4-TRIAZINE; POTENT, SELECTIVE ANTICONVULSANT; DIHYDROFOLATE REDUCTASE INHIBITOR; ANALGESICS; EPILEPSY, BIPOLAR DISORDER, PAIN | SMITHKLINE BEECHAM CORPORATION | 2002-10-15 | — | — | US | disclosed |
| EP-1237554-A2 | USE OF SODIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF DISEASES RELATED TO APOPTOSIS | GLAXO GROUP LIMITED (GB) | 2002-09-11 | — | — | EP | disclosed |
| US-6420354-B1 | Sodium channel drugs and uses | ADVANCED MEDICINE, INC. | 2002-07-16 | — | — | US | disclosed |
| WO-1999063984-A9 | NOVEL SODIUM CHANNEL DRUGS AND USES | — | 2002-04-25 | — | — | WO | disclosed |
| US-6265405-B1 | ANTIEPILEPTIC AGENTS | GLAXO WELLCOME INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1085890-A1 | NOVEL SODIUM CHANNEL DRUGS AND USES | Advanced Medicine, Inc. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-2000061231-A2 | MEDICAL USE | GLAXO GROUP LIMITED (GB) | 2000-10-19 | — | — | WO | disclosed |
| EP-1042304-A1 | TRIAZINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS | GLAXO GROUP LIMITED (GB) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999063984-A1 | NOVEL SODIUM CHANNEL DRUGS AND USES | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | WO | disclosed |
| WO-1999032462-A1 | TRIAZINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS | GLAXO GROUP LIMITED (GB) | 1999-07-01 | — | — | WO | disclosed |
| EP-0459829-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |
| US-4602017-A | Substituted aromatic compounds | SMITHKLINE BEECHAM CORPORATION(A PENNSYLVANIA CORPORATION) | 1986-07-22 | — | — | US | disclosed |
| EP-0059987-B1 | ALPHA-CYANO-ALPHA-((N-GUANIDINO)-IMINO) TOLUENES | THE WELLCOME FOUNDATION LIMITED (GB) | 1985-08-14 | — | — | EP | disclosed |
| US-4486354-A | ANTICONVULSANTS | BURROUGH WELLCOME CO. | 1984-12-04 | — | — | US | disclosed |
| EP-0059987-A1 | Alpha-cyano-alpha-((N-guanidino)-imino) toluenes | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-09-15 | — | — | EP | disclosed |