Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.60 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.58 |
| ▸ | AURKA | O14965 | 2/20 | 0.57 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | ACP3 | P15309 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.49 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL249437 | 0.95 | EPHX1 (0.61) | TAAR1EPHX1HDAC1HDAC8AURKA | |
| SCHEMBL30412030 | 0.94 | EPHX1 (0.59) | TAAR1EPHX1HDAC1HDAC8AURKA | |
| SCHEMBL185922 | 0.92 | TAAR1 (0.62) | TAAR1EPHX1HDAC1HDAC8AURKA | |
| SCHEMBL30645023 | 0.92 | TAAR1 (0.62) | TAAR1EPHX1HDAC1HDAC8AURKA | |
| SCHEMBL1981615 | 0.87 | FFAR4 (0.59) | TAAR1EPHX1HDAC1HDAC8ACP3 | |
| SCHEMBL27930024 | 0.86 | HDAC1 (0.57) | TAAR1EPHX1HDAC1HDAC8NR3C2 | |
| SCHEMBL18798841 | 0.85 | HDAC1 (0.71) | TAAR1EPHX1HDAC1HDAC8AURKA | |
| SCHEMBL11755472 | 0.83 | HDAC1 (0.60) | TAAR1EPHX1HDAC1HDAC8ACP3 | |
| SCHEMBL24359488 | 0.82 | EPHX1 (0.54) | TAAR1EPHX1HDAC1HDAC8AURKA | |
| SCHEMBL28673196 | 0.82 | LMNA (0.60) | TAAR1EPHX1HDAC1HDAC8NR3C2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1780821-A | Heterocyclic kinase inhibitors. | ABBOTT LAB (US) | 2006-05-31 | — | — | CN | claimed |
| CN-101495458-B | Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors | BAYER IP GMBH | 2014-01-29 | — | — | CN | disclosed |
| WO-2009137338-A1 | PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-11-12 | — | — | WO | disclosed |
| CN-1780821-A | Heterocyclic kinase inhibitors. | ABBOTT LAB (US) | 2006-05-31 | — | — | CN | disclosed |