Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10824408 | 0.79 | CYP3A4 (0.43) | CYP3A4CYP2C19KDM4EHSD17B10CYP19A1 | |
| SCHEMBL10171592 | 0.79 | LMNA (0.62) | CYP3A4CYP2C19KDM4EHSD17B10CYP19A1 | |
| SCHEMBL11878313 | 0.78 | CYP19A1 (0.39) | CYP3A4CYP2C19KDM4EHSD17B10CYP19A1 | |
| SCHEMBL12681892 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C19KDM4EHSD17B10CYP19A1 | |
| SCHEMBL11879035 | 0.77 | CYP19A1 (0.49) | CYP3A4CYP2C19CYP19A1CYP17A1TP53 | |
| SCHEMBL23555481 | 0.77 | ROCK2 (0.42) | CYP3A4CYP2C19KDM4ECYP19A1CYP17A1 | |
| SCHEMBL12681847 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C19KDM4EHSD17B10CYP19A1 | |
| SCHEMBL28679199 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C19KDM4EHSD17B10CYP19A1 | |
| SCHEMBL11972636 | 0.77 | CYP3A4 (0.43) | CYP3A4CYP2C19KDM4EHSD17B10CYP19A1 | |
| SCHEMBL7270492 | 0.77 | CYP1A2 (0.40) | CYP3A4CYP2C19KDM4EHSD17B10CYP19A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0539575-B1 | INHIBITION OF METASTASIS IN PATIENTS HAVING CANCER WITH PYRIDYLOXAZOLE-2-ONES | MERRELL PHARMA INC (US) | 1997-07-23 | — | — | EP | disclosed |
| US-5610171-A | Inhibition of metastasis in patients having cancer with pyridyloxazole-2-ones | MERRELL PHARMACEUTICALS INC. (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0700383-A1 | NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS | SYNTEX (U.S.A.) INC. (US) | 1996-03-13 | — | — | EP | disclosed |
| WO-1993010778-A1 | INHIBITION OF ANGIOGENESIS WITH PYRIDINYLOXAZOLE-2-ONES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-10 | — | — | WO | disclosed |
| EP-0539575-A1 | INHIBITION OF METASTASIS IN PATIENTS HAVING CANCER WITH PYRIDYLOXAZOLE-2-ONES. | MERRELL DOW PHARMA (US) | 1993-05-05 | — | — | EP | disclosed |
| US-5182293-A | Treatment of multi-drug resistant tumors with pyridyloxazole-2-ones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-01-26 | — | — | US | disclosed |
| WO-1992020337-A2 | INHIBITION OF METASTASIS IN PATIENTS HAVING CANCER WITH PYRIDYLOXAZOLE-2-ONES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-11-26 | — | — | WO | disclosed |
| US-5063238-A | Kinase inhibitor | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-05 | — | — | US | disclosed |
| EP-0428104-A2 | Treatment of multi-drug resistant tumors with pyridyloxazole-2-ones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-05-22 | — | — | EP | disclosed |
| EP-0428106-A1 | Novel pyridyloxazole 2-ones useful as proteinkinase C inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-05-22 | — | — | EP | disclosed |
| EP-0428103-A2 | Prevention of glycoprotein enveloped virus infectivity by pyridyloxazole-2-ones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-05-22 | — | — | EP | disclosed |
| EP-0222358-B1 | CARDIOTONIC HETEROCYCLIC OXAZOLONES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-04-17 | — | — | EP | disclosed |
| US-4698353-A | REDUCED TOXICITY | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-10-06 | — | — | US | disclosed |