Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3516783 | 0.67 | PIK3CD (0.31) | — | |
| SCHEMBL10378785 | 0.67 | FDPS (0.31) | FDPS | |
| SCHEMBL4676100 | 0.67 | DPP7 (0.33) | FDPS | |
| SCHEMBL1400003 | 0.65 | KMT2A (0.48) | CYP2D6CYP2C19 | |
| SCHEMBL10622028 | 0.64 | — | — | |
| SCHEMBL4716548 | 0.64 | SLC6A3 (0.36) | — | |
| SCHEMBL6872234 | 0.62 | HRH3 (0.42) | CYP1A2 | |
| SCHEMBL6872232 | 0.62 | HRH3 (0.42) | CYP1A2 | |
| SCHEMBL11451621 | 0.62 | — | — | |
| SCHEMBL8742797 | 0.62 | FDPS (0.36) | FDPS |
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-5635506-A | ANTITUMOR AGENTS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1997-06-03 | — | — | US | claimed |