Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.57 |
| ▸ | GABRD | O14764 | 1/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.57 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.57 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.57 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.57 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.57 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.57 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.57 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.57 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.57 |
| ▸ | GABRE | P78334 | 1/20 | 0.57 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.57 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.57 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.57 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10813064 | 0.87 | GABRP (0.76) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9380266 | 0.85 | GABRP (0.58) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8577392 | 0.84 | GABRP (0.77) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL31146466 | 0.83 | KMT2A (0.68) | ALDH1A1CYP1A2CYP2C19HPGDMEN1 | |
| SCHEMBL5456482 | 0.83 | KMT2A (0.68) | ALDH1A1CYP1A2CYP2C19HPGDMEN1 | |
| SCHEMBL9573562 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL30192167 | 0.81 | GABRP (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6907111 | 0.81 | GABRP (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9652547 | 0.81 | GABRP (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8672570 | 0.81 | ALDH1A1 (0.71) | MAPK1ALDH1A1HPGDMAPTKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5706829-A | BENZODIAZEPINE DERIVATIVE | CREIGHTON UNIVERSITY (US) | 1998-01-13 | — | — | US | disclosed |
| US-4014883-A | ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-03-29 | — | — | US | disclosed |