Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6293635 | 0.90 | ALDH1A1 (0.51) | ALDH1A1MAPK1NPC1RAB9AHPGD | |
| SCHEMBL2260234 | 0.84 | SMN1; SMN2 (0.46) | ALDH1A1MAPK1NPC1RAB9AHPGD | |
| SCHEMBL8016583 | 0.81 | HPGD (0.46) | ALDH1A1CTNNB1WNT3ANPC1RAB9A | |
| SCHEMBL31262479 | 0.80 | CTNNB1 (0.67) | ALDH1A1MAPK1CTNNB1WNT3ANPC1 | |
| SCHEMBL875455 | 0.80 | CTNNB1 (0.67) | ALDH1A1MAPK1CTNNB1WNT3ANPC1 | |
| SCHEMBL8019602 | 0.80 | MAOA (0.60) | ALDH1A1CTNNB1WNT3ARAB9AHPGD | |
| SCHEMBL1429751 | 0.80 | ALDH1A1 (0.55) | ALDH1A1MAPK1HPGDKMT2AMEN1 | |
| SCHEMBL7605647 | 0.79 | GRM5 (0.49) | ALDH1A1CTNNB1WNT3ANPC1RAB9A | |
| SCHEMBL1344385 | 0.79 | AKR1B1 (0.44) | ALDH1A1CTNNB1WNT3ARAB9AHPGD | |
| SCHEMBL1533619 | 0.79 | MAOB (0.63) | ALDH1A1MAPK1NPC1RAB9AHPGD |
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-0922703-B1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | GRUENENTHAL GMBH (DE) | 2002-12-04 | — | — | EP | disclosed |
| US-6013809-A | ANALGESICS | GRUENENTHAL GMBH (DE) | 2000-01-11 | — | — | US | disclosed |
| EP-0922703-A1 | Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds | Grünenthal GmbH (DE) | 1999-06-16 | — | — | EP | disclosed |