Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.43 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17966409 | 0.81 | HDAC8 (0.46) | CYP1A2HRH3 | |
| SCHEMBL8079346 | 0.79 | CXCR4 (0.60) | CXCR4TACR2CYP1A2CYP2A6OPRM1 | |
| SCHEMBL7452857 | 0.77 | SMN1; SMN2 (0.42) | DAO | |
| SCHEMBL10327213 | 0.77 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL17676894 | 0.77 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL10327192 | 0.77 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL7448764 | 0.75 | CXCR4 (0.47) | CXCR4TACR2CYP1A2OPRM1MMP13 | |
| SCHEMBL10467652 | 0.73 | CXCR4 (0.47) | CXCR4TACR2 | |
| SCHEMBL10467651 | 0.73 | CXCR4 (0.47) | CXCR4TACR2 | |
| SCHEMBL7456041 | 0.72 | CXCR4 (0.43) | CXCR4CYP1A2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027096-A1 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | TULARIK LIMITED (GB) | 2001-04-19 | — | — | WO | claimed |
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | disclosed |