Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 7/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | INSR | P06213 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL13613511 | 1.00 | CDK7 (0.37) | CDK7CDK9ALKCYP3A4CYP1A2 | |
| SCHEMBL13613427 | 1.00 | CDK7 (0.37) | CDK7CDK9ALKCYP3A4CYP1A2 | |
| SCHEMBL11347961 | 0.87 | PKM (0.43) | ALKCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL11347964 | 0.87 | PKM (0.43) | ALKCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL13613727 | 0.87 | PKM (0.43) | ALKCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL2914811 | 0.86 | CDK7 (0.35) | CDK7CDK9ALKTSHRMET | |
| Hydrochloric Acid SCHEMBL2917269 | 0.85 | TSHR (0.35) | CDK7CDK9ALKTSHRLMNA | |
| SCHEMBL13613432 | 0.84 | SLC6A3 (0.35) | ALKCYP3A4CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL2912239 | 0.83 | SLC6A3 (0.35) | ALKCYP3A4CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL2525623 | 0.82 | KMT2A (0.35) | ALKCYP1A2CYP2C19TSHRHSD17B10 |
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-7622585-B2 | Phenylglycinamide derivatives useful as anticoagulants | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-24 | — | — | US | disclosed |