Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6165687 | 0.84 | BRD4 (0.48) | CYP17A1BRD4CREBBPPSMB8NAMPT | |
| SCHEMBL3783709 | 0.82 | MAP4K4 (0.46) | CYP17A1CA12CA1CA9ACSS2 | |
| SCHEMBL31263554 | 0.80 | CA12 (0.52) | CYP17A1CA12CA1CA9HDAC1 | |
| SCHEMBL28698567 | 0.80 | ACHE (0.47) | CYP17A1CA12CA1CA9HDAC1 | |
| SCHEMBL3784607 | 0.79 | MAP4K4 (0.46) | CYP17A1CA12CA1CA9ACSS2 | |
| SCHEMBL6154023 | 0.79 | CA12 (0.45) | CYP17A1CA12CA1CA9HDAC1 | |
| SCHEMBL29225770 | 0.78 | S1PR1 (0.45) | CYP17A1CA12CA1CA9ACSS2 | |
| SCHEMBL18570243 | 0.77 | CYP17A1 (0.61) | CYP17A1PSMB8NAMPTBCL2BECN1 | |
| Phosphine SCHEMBL27819890 | 0.77 | ACSS2 (0.44) | CYP17A1CA12CA1CA9ACSS2 | |
| SCHEMBL13754832 | 0.76 | CYP17A1 (0.64) | CYP17A1BRD4CREBBPHDAC1HDAC4 |
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-0946528-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028282-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |