Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CPN1 | P15169 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2772701 | 0.81 | ALDH1A1 (0.36) | ALDH1A1ALOX15MAPK1CPN1CPB2 | |
| SCHEMBL9030346 | 0.81 | CYP1A2 (0.35) | ALDH1A1ALOX15MAPK1PARP14 | |
| SCHEMBL2206284 | 0.75 | ALDH1A1 (0.33) | ALDH1A1CPN1CPB2NPC1EPHX1 | |
| SCHEMBL13934134 | 0.74 | ALDH1A1 (0.47) | ALDH1A1ALOX15MAPK1NPC1RAB9A | |
| SCHEMBL1008489 | 0.74 | ALDH1A1 (0.35) | ALDH1A1NPC1LMNA | |
| SCHEMBL4789168 | 0.74 | GNAI3 (0.40) | — | |
| SCHEMBL15477193 | 0.73 | EPHX1 (0.31) | ALDH1A1ALOX15MAPK1EPHX1 | |
| SCHEMBL3904129 | 0.71 | AKR1C3 (0.44) | ALDH1A1CPN1CPB2NPC1 | |
| SCHEMBL9031594 | 0.71 | GABRA5 (0.37) | ALDH1A1ALOX15CPN1CPB2EPHX1 | |
| SCHEMBL20340605 | 0.70 | ALDH1A1 (0.32) | ALDH1A1CPN1CPB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0699195-A1 | THIOINDOLE PYPERIDINYL DERIVATIVES USED AS ANTALGICS | LABORATOIRES UPSA (FR) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994026736-A1 | THIOINDOLE PYPERIDINYL DERIVATIVES USED AS ANTALGICS | LABORATOIRES UPSA (FR) | 1994-11-24 | — | — | WO | disclosed |