Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 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 | |
|---|---|---|---|---|
| SCHEMBL7681578 | 1.00 | CYP3A4 (0.42) | CYP3A4TDP1NPSR1CA12CA1 | |
| SCHEMBL7900509 | 0.82 | ALOX12 (0.48) | HRH4KDM4EIMPDH2 | |
| SCHEMBL7900511 | 0.82 | ALOX12 (0.48) | HRH4KDM4EIMPDH2 | |
| SCHEMBL7262254 | 0.82 | CYP3A4 (0.44) | CYP3A4TDP1NPSR1CA12CA1 | |
| SCHEMBL504843 | 0.82 | CYP3A4 (0.44) | CYP3A4TDP1NPSR1CA12CA1 | |
| SCHEMBL504842 | 0.82 | CYP3A4 (0.44) | CYP3A4TDP1NPSR1CA12CA1 | |
| SCHEMBL6949196 | 0.82 | CYP3A4 (0.44) | CYP3A4TDP1NPSR1CA12CA1 | |
| SCHEMBL7684354 | 0.82 | CYP3A4 (0.44) | CYP3A4TDP1NPSR1CA12CA1 | |
| SCHEMBL7256799 | 0.80 | MAPKAPK2 (0.41) | CYP3A4TDP1NPSR1CA12CA1 | |
| SCHEMBL7256797 | 0.80 | MAPKAPK2 (0.41) | CYP3A4TDP1NPSR1CA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6346520-B1 | ANTITUMOR AND ANTICARCINOGENIC AGENTS; PSORIASIS | LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) | 2002-02-12 | — | — | US | disclosed |