Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17450488 | 0.88 | GABRA1 (0.44) | PNMTTAAR1IDO1ALDH1A1GABRA1 | |
| SCHEMBL11025527 | 0.87 | PNMT (0.62) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL29944235 | 0.83 | PNMT (0.41) | PNMTTAAR1IDO1ALDH1A1POLB | |
| SCHEMBL10540791 | 0.79 | P2RX7 (0.46) | IDO1 | |
| SCHEMBL29957185 | 0.78 | TDP1 (0.41) | PNMTTAAR1ALDH1A1TSHRHTT | |
| SCHEMBL2290388 | 0.74 | — | — | |
| SCHEMBL1538555 | 0.74 | HSPA5 (0.45) | PNMTTAAR1IDO1CYP1A2CYP2D6 | |
| SCHEMBL29712515 | 0.74 | HSPA5 (0.45) | PNMTTAAR1IDO1CYP1A2CYP2D6 | |
| SCHEMBL625763 | 0.73 | PNMT (0.75) | PNMTTAAR1IDO1 | |
| SCHEMBL30528651 | 0.73 | GABRA1 (0.32) | GABRA1GABRB2 |
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-117185897-A | Synthesis method of difluoromethyl halobenzene | 上海泰坦科技股份有限公司 | 2023-12-08 | — | — | CN | disclosed |