Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 3/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30681441 | 1.00 | DRD2 (0.53) | DRD2DRD4NOTUMNPC1ALDH1A1 | |
| SCHEMBL7554164 | 1.00 | DRD2 (0.53) | DRD2DRD4NOTUMNPC1ALDH1A1 | |
| SCHEMBL7993369 | 0.85 | DRD2 (0.54) | DRD2DRD4NOTUMNPC1ALDH1A1 | |
| SCHEMBL3441713 | 0.84 | ACE (0.47) | ACE | |
| SCHEMBL30681525 | 0.81 | NOTUM (0.48) | NOTUMNPC1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4386325 | 0.81 | NOTUM (0.44) | NOTUMNPC1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL30681248 | 0.80 | DRD2 (0.45) | DRD2DRD4NOTUMNPC1ALDH1A1 | |
| SCHEMBL4436739 | 0.80 | NOTUM (0.43) | DRD2DRD4NOTUMACE | |
| SCHEMBL5763420 | 0.80 | NPC1 (0.53) | DRD2DRD4NPC1CYP2C19 | |
| SCHEMBL24201848 | 0.79 | DRD2 (0.53) | DRD2DRD4NOTUMNPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102762567-A | Diaza-spiro[5.5]undecanes as orexin receptor antagonists | NOVARTIS AG | 2012-10-31 | — | — | CN | disclosed |
| WO-2009151626-A1 | SUBSTITUTED (1, 2, 4-0XADIAZ0L-3-YL) INDOLIN-1-YL CARBOXYLIC ACID DERIVATIVES USEFUL AS S1P1 AGONISTS | ARENA PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |