Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLA1 | P09884 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30869923 | 0.78 | SIGMAR1 (0.44) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL988682 | 0.78 | SIGMAR1 (0.44) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL9868507 | 0.78 | CYP2C9 (0.42) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL2981802 | 0.75 | POLA1 (0.50) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL19469456 | 0.74 | CYP3A4 (0.47) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL28634277 | 0.73 | CYP3A4 (0.42) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL30089469 | 0.71 | CYP3A4 (0.52) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL1091487 | 0.71 | CYP3A4 (0.52) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL20738472 | 0.71 | CYP3A4 (0.53) | CYP3A4CYP2C9TSHRCYP2C19POLA1 | |
| SCHEMBL20738466 | 0.71 | CYP3A4 (0.53) | CYP3A4CYP2C9TSHRCYP2C19POLA1 |
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-6235789-B1 | GLANDULAR DISORDERS; SLEEP DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |