Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 6/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21391039 | 0.88 | TRPA1 (0.39) | PNMTDRD2DRD3TRPA1CYP19A1 | |
| SCHEMBL11017385 | 0.81 | TRPA1 (0.44) | PNMTDRD2DRD3TRPA1CYP19A1 | |
| SCHEMBL7647780 | 0.74 | PNMT (0.44) | PNMTDRD2DRD3TRPA1CYP19A1 | |
| SCHEMBL29699585 | 0.72 | HTR2A (0.38) | PNMTCYP19A1KDM1ACYP11B1CYP11B2 | |
| SCHEMBL20896958 | 0.72 | HTR2A (0.38) | PNMTCYP19A1KDM1ACYP11B1CYP11B2 | |
| SCHEMBL10511659 | 0.72 | CYP11B2 (0.33) | CYP19A1KDM1ANOS3NOS1NOS2 | |
| SCHEMBL29640801 | 0.72 | TRPA1 (0.38) | PNMTTRPA1CYP19A1KDM1ANOS3 | |
| SCHEMBL22780705 | 0.72 | — | — | |
| SCHEMBL28119244 | 0.72 | TRPA1 (0.38) | PNMTTRPA1CYP19A1KDM1ANOS3 | |
| SCHEMBL28218152 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189461-B | The dibasic 1- acyl groups -4- amino -1,2,3,4- tetrahydroquinoline derivatives of 2,3- and their purposes as bromine domain inhibitor | 葛兰素史克知识产权第二有限公司 | 2018-05-15 | — | — | CN | disclosed |
| CN-105189461-A | 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors | GLAXOSMITHKLINE IP NO 2 LTD | 2015-12-23 | — | — | CN | disclosed |