Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3859313 | 0.83 | CA12 (0.44) | CA12CA1CA2CA9NPY5R | |
| SCHEMBL3868137 | 0.80 | CA12 (0.51) | CA12CA1CA2CA9NPY5R | |
| SCHEMBL13631453 | 0.79 | HDAC3 (0.45) | MEN1KMT2AALDH1A1 | |
| SCHEMBL13683269 | 0.78 | MGLL (0.44) | ROCK2MEN1KMT2AEGFRALDH1A1 | |
| SCHEMBL12249923 | 0.77 | APEX1 (0.50) | ROCK1ROCK2ALDH1A1IMPDH2 | |
| SCHEMBL3866247 | 0.74 | PPARG (0.49) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL3858613 | 0.72 | CA12 (0.45) | CA12CA1CA2CA9NPY5R | |
| SCHEMBL12248249 | 0.70 | ALDH1A1 (0.63) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL13631343 | 0.69 | DRD4 (0.43) | MEN1KMT2AEGFRALDH1A1 | |
| SCHEMBL13683275 | 0.67 | EGFR (0.41) | MEN1KMT2AEGFRALDH1A1AR |
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-7592331-B2 | Macrocyclic factor VIIa inhibitors useful as anticoagulants | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-22 | — | — | US | disclosed |