Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | GRK6 | P43250 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | EIF4E | P06730 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774927 | 0.84 | ALDH1A1 (0.44) | IDH2NPC1AMY1AKMT2ARAB9A | |
| SCHEMBL8774866 | 0.77 | IDH2 (0.51) | IDH2NPC1AMY1AKMT2ARAB9A | |
| SCHEMBL23004696 | 0.76 | KMT2A (0.39) | NPC1AMY1AKMT2ARAB9AMEN1 | |
| SCHEMBL7350863 | 0.73 | HSP90AA1 (0.42) | NPC1AMY1ARAB9AGRK6MAPT | |
| SCHEMBL8845427 | 0.72 | IDH2 (0.41) | IDH2AMY1AKMT2AMEN1MAPT | |
| SCHEMBL6520 | 0.69 | TDP1 (0.58) | NPC1AMY1AKMT2ARAB9AMEN1 | |
| SCHEMBL29744326 | 0.69 | ALDH1A1 (0.56) | NPC1KMT2ARAB9AMEN1ABCB1 | |
| SCHEMBL29445159 | 0.69 | TDP1 (0.58) | NPC1AMY1AKMT2ARAB9AMEN1 | |
| SCHEMBL3192746 | 0.69 | ALDH1A1 (0.56) | NPC1KMT2ARAB9AMEN1ABCB1 | |
| SCHEMBL2314995 | 0.68 | VCAM1 (0.50) | KMT2ARAB9AMEN1MAPTALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5688654-A | GAMMA-AMINOBUTYRIC ACID | NEUROGEN CORPORATION (US) | 1997-11-18 | — | — | US | disclosed |
| EP-0639275-B1 | NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES | NEUROGEN CORP (US) | 1997-09-17 | — | — | EP | disclosed |
| US-5597920-A | Gabaa receptor subtypes and methods for screening drug compounds using imidazoquinoxalines and pyrrolopyrimidines to bind to gabaa receptor subtypes | NEUROGEN CORPORATION (US) | 1997-01-28 | — | — | US | disclosed |
| EP-0639275-A1 | NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES. | NEUROGEN CORP (US) | 1995-02-22 | — | — | EP | disclosed |
| WO-1993022681-A1 | NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES | NEUROGEN CORPORATION (US) | 1993-11-11 | — | — | WO | disclosed |