Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 5/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9029595 | 0.81 | ALDH1A1 (0.41) | ALDH1A1PARP14ALOX15MAPK1 | |
| SCHEMBL979441 | 0.79 | ALDH1A1 (0.45) | ALDH1A1ALOX15MAPK1 | |
| SCHEMBL13934134 | 0.77 | ALDH1A1 (0.47) | ALDH1A1ALOX15MAPK1 | |
| SCHEMBL9031594 | 0.73 | GABRA5 (0.37) | KEAP1NFE2L2GNAI3GNAO1GNAI1 | |
| SCHEMBL12258481 | 0.72 | KEAP1 (0.40) | CYP1A2TDP1KEAP1NFE2L2NCF1 | |
| SCHEMBL9030266 | 0.72 | ACHE (0.56) | — | |
| SCHEMBL10080190 | 0.72 | NCF1 (0.41) | NCF1GNAI3GNAO1GNAI1PARP14 | |
| SCHEMBL9031022 | 0.71 | ACHE (0.54) | — | |
| SCHEMBL10268818 | 0.68 | NCF1 (0.48) | CYP1A2TDP1PAOXKEAP1NFE2L2 | |
| SCHEMBL18231271 | 0.67 | KDM4E (0.32) | KEAP1NFE2L2 |
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 4 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 |
| US-5418242-A | Piperidinylthioindole derivatives, their methods of preparation and pharmaceutical compositions in which they are present, useful especially as analgesics | LABORATOIRES UPSA (FR) | 1995-05-23 | — | — | US | disclosed |
| WO-1994026736-A1 | THIOINDOLE PYPERIDINYL DERIVATIVES USED AS ANTALGICS | LABORATOIRES UPSA (FR) | 1994-11-24 | — | — | WO | disclosed |
| US-5317025-A | Piperidinylthioindole derivatives, their methods of preparation and pharmaceutical compositions in which they are present, useful especially as analgesics | LABORATOIRES USPA (FR) | 1994-05-31 | — | — | US | disclosed |