Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2916186 | 0.86 | SLC1A2 (0.36) | TSHRSLC6A3SLC6A2SLC6A4 | |
| SCHEMBL2916149 | 0.80 | ALDH1A1 (0.42) | SLC6A3 | |
| SCHEMBL13613511 | 0.78 | CDK7 (0.37) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL13613512 | 0.78 | CDK7 (0.37) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL13613427 | 0.78 | CDK7 (0.37) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL8262931 | 0.76 | SLC6A2 (0.49) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL5508811 | 0.74 | SLC6A4 (0.39) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL31648426 | 0.73 | HTR2C (0.40) | HSD17B10 | |
| SCHEMBL31648454 | 0.73 | HTR2C (0.40) | HSD17B10 | |
| SCHEMBL8263425 | 0.73 | PKM (0.46) | CYP2D6CYP1A2CYP2C19TSHRHSD17B10 |
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 |