Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 4/20 | 0.58 |
| ▸ | COMT | P21964 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 6/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28827003 | 0.74 | MGLL (0.38) | DRD4DRD2MAT2AKMT2A | |
| SCHEMBL14603348 | 0.69 | COMT (0.38) | DRD4COMTCYP2C19CYP3A4KMT2A | |
| SCHEMBL10059490 | 0.68 | KDM4E (0.53) | DRD4DRD2DRD3SLC18A3GRIN2B | |
| SCHEMBL190417 | 0.67 | SLC18A3 (0.67) | DRD2SLC18A3GRIN2BSIGMAR1CYP2D6 | |
| SCHEMBL41763 | 0.67 | — | — | |
| SCHEMBL7446491 | 0.67 | MBTD1 (0.55) | DRD4DRD2SLC18A3GRIN2BSIGMAR1 | |
| SCHEMBL24257858 | 0.66 | COMT (0.48) | DRD4COMTDRD2CYP2C19CYP3A4 | |
| SCHEMBL14007395 | 0.66 | COMT (0.48) | DRD4COMTCYP3A4TSHRHPGD | |
| SCHEMBL720471 | 0.66 | COMT (0.48) | DRD4COMTDRD2CYP2C19CYP3A4 | |
| SCHEMBL1351786 | 0.66 | COMT (0.48) | DRD4COMTSIGMAR1CYP3A4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104311553-B | Ortho position monochloro substituted compound and the synthetic method thereof of N-aryl azaindole | SHANGHAI UNIVERSITY (CN) | 2016-05-25 | — | — | CN | disclosed |