Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9441281 | 1.00 | ALDH1A1 (0.53) | ALDH1A1CYP2C9THRBCYP2C19HSD17B10 | |
| SCHEMBL7281178 | 1.00 | ALDH1A1 (0.53) | ALDH1A1CYP2C9THRBCYP2C19HSD17B10 | |
| SCHEMBL5966500 | 0.88 | HDAC1 (0.63) | ALDH1A1CYP2C9THRBCYP2C19HSD17B10 | |
| SCHEMBL4145473 | 0.88 | HDAC1 (0.63) | ALDH1A1CYP2C9THRBCYP2C19HSD17B10 | |
| SCHEMBL4145476 | 0.88 | HDAC1 (0.63) | ALDH1A1CYP2C9THRBCYP2C19HSD17B10 | |
| SCHEMBL24130642 | 0.87 | ITGB3 (0.50) | PARP1PARP3HDAC6HDAC1HDAC2 | |
| SCHEMBL29583497 | 0.87 | PARP1 (0.50) | PARP1PARP3HDAC6HDAC1HDAC2 | |
| SCHEMBL24130644 | 0.87 | ITGB3 (0.50) | PARP1PARP3HDAC6HDAC1HDAC2 | |
| SCHEMBL24130593 | 0.86 | KDM4E (0.53) | ALDH1A1PARP1PARP3HDAC6HDAC1 | |
| SCHEMBL24130589 | 0.86 | KDM4E (0.53) | ALDH1A1PARP1PARP3HDAC6HDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0481522-B1 | Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace | MERRELL PHARMA INC (US) | 1997-12-29 | — | — | EP | disclosed |
| US-5527795-A | Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace | MERRELL PHARMACEUTICALS INC. (US) | 1996-06-18 | — | — | US | disclosed |
| US-5491143-A | Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ACE | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-02-13 | — | — | US | disclosed |
| US-5430145-A | Analgesics, reduction of drug withdrawal symptoms, hypotensive agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-07-04 | — | — | US | disclosed |
| EP-0481522-A1 | Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace | MERRELL PHARMACEUTICALS INC. (US) | 1992-04-22 | — | — | EP | disclosed |