Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | DRD4 | P21917 | 3/20 | 0.49 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL4917475 | 0.93 | DRD2 (0.52) | ALDH1A1DRD2DRD4BCHEACHE | |
| SCHEMBL2576650 | 0.93 | DRD2 (0.52) | ALDH1A1DRD2DRD4BCHEACHE | |
| SCHEMBL4917481 | 0.93 | DRD2 (0.52) | ALDH1A1DRD2DRD4BCHEACHE | |
| SCHEMBL2454072 | 0.85 | BCHE (0.58) | ALDH1A1BCHEACHEMAOB | |
| SCHEMBL12090230 | 0.85 | BCHE (0.58) | ALDH1A1BCHEACHEMAOB | |
| SCHEMBL5743125 | 0.84 | ALDH1A1 (0.66) | ALDH1A1DRD2SPHK1SPHK2BCHE | |
| SCHEMBL5744592 | 0.84 | ALDH1A1 (0.66) | ALDH1A1DRD2SPHK1SPHK2BCHE | |
| SCHEMBL6279418 | 0.82 | ALDH1A1 (0.57) | ALDH1A1SPHK1SPHK2BCHEACHE | |
| SCHEMBL9217317 | 0.80 | HTR2A (0.55) | ALDH1A1DRD2DRD4BCHEACHE | |
| SCHEMBL608225 | 0.79 | ALDH1A1 (0.81) | ALDH1A1BCHEACHENPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1474135-A4 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1474135-A1 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES | Bristol-Myers Squibb Company (US) | 2004-11-10 | — | — | EP | disclosed |
| WO-2003068221-A1 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-08-21 | — | — | WO | disclosed |