Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 10/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30536200 | 0.86 | HTR2A (0.39) | HTR2ATAAR1HTR2CMEN1ALDH1A1 | |
| SCHEMBL10801606 | 0.84 | HTR2A (0.56) | HTR2ATAAR1HTR2CPRKDC | |
| SCHEMBL6091910 | 0.81 | HTR2A (0.47) | HTR2ATAAR1HTR2CPRKDCALDH1A1 | |
| SCHEMBL21798818 | 0.80 | TAAR1 (0.45) | HTR2ATAAR1HTR2CMEN1ALDH1A1 | |
| SCHEMBL27176779 | 0.79 | HTR2A (0.49) | HTR2ATAAR1HTR2CPOLB | |
| SCHEMBL12489957 | 0.78 | KDM1A (0.36) | — | |
| SCHEMBL30990293 | 0.78 | KDM1A (0.36) | — | |
| SCHEMBL27176961 | 0.77 | HTR2A (0.47) | HTR2ATAAR1HTR2CPOLB | |
| SCHEMBL1902933 | 0.77 | HTR2A (0.41) | HTR2ATAAR1HTR2CMEN1ALDH1A1 | |
| SCHEMBL13403399 | 0.76 | CYP3A4 (0.52) | HTR2ATAAR1PRKDCMEN1ALDH1A1 |
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-2102176-A2 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | Brystol-Myers Squibb Company (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008079836-A2 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-07-03 | — | — | WO | disclosed |