Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7891977 | 0.83 | CYP19A1 (0.44) | CYP19A1KIF11HTTCYP3A4CYP2C19 | |
| SCHEMBL7885482 | 0.83 | CYP19A1 (0.44) | CYP19A1KIF11HTTCYP3A4CYP2C19 | |
| Bromide SCHEMBL7885634 | 0.82 | CYP19A1 (0.43) | CYP19A1KIF11HTTCYP3A4CYP2C19 | |
| Bromide SCHEMBL7885638 | 0.82 | CYP19A1 (0.43) | CYP19A1KIF11HTTCYP3A4CYP2C19 | |
| SCHEMBL27426144 | 0.73 | CYP19A1 (0.44) | CYP19A1CYP3A4CYP2C19 | |
| SCHEMBL7893117 | 0.72 | CYP19A1 (0.43) | CYP19A1 | |
| SCHEMBL7895319 | 0.72 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP2C19 | |
| Oxalic Acid SCHEMBL27428421 | 0.71 | CNR2 (0.43) | CYP19A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10102654 | 0.71 | CYP19A1 (0.40) | CYP19A1PDE2AHDAC1HDAC8HDAC6 | |
| SCHEMBL7896660 | 0.71 | CYP19A1 (0.46) | CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0800524-B1 | 6-[TRIAZOLYL[ 3-(TRIFLUOROMETHYL)PHENYL]METHYL]-2-QUINOLINONES AND -QUINOLINETHIONES | JANSSEN PHARMACEUTICA NV (BE) | 2001-10-31 | — | — | EP | claimed |