Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | GABRP | O00591 | 2/20 | 0.53 |
| ▸ | GABRD | O14764 | 2/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.53 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.53 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.53 |
| ▸ | GABRE | P78334 | 2/20 | 0.53 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.53 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.53 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.53 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1699095 | 0.92 | DAO (0.62) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL4629477 | 0.86 | DAO (0.58) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL1699133 | 0.85 | DAO (0.58) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL30615446 | 0.85 | DAO (0.54) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL15427100 | 0.85 | DAO (0.54) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL11556143 | 0.85 | DAO (0.54) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL11435447 | 0.84 | DAO (0.57) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL21463736 | 0.84 | PKM (0.52) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL30615622 | 0.84 | DAO (0.54) | ALDH1A1DAOGABRPGABRDGABRA1 | |
| SCHEMBL21464285 | 0.82 | CYP2D6 (0.48) | ALDH1A1DAOGABRPGABRDGABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |
| EP-2258400-A2 | Multivalent VLA-4 antagonists comprising polymer moieties | ELAN PHARMACEUTICALS, INC. (US) | 2010-12-08 | — | — | EP | disclosed |
| EP-2258399-A2 | Multivalent VLA-4 antagonists comprising polymer moieties | Elan Pharmaceuticals Inc. (US) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009075806-A1 | METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS | ELAN PHARMACEUTICALS, INC. (US) | 2009-06-18 | — | — | WO | disclosed |
| US-4144341-A | ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1979-03-13 | — | — | US | disclosed |