Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL24059255 | 0.78 | CYP1A2 (0.39) | CYP1A2ALDH1A1POLBHTR2AHTR2C | |
| SCHEMBL21101086 | 0.72 | CNR2 (0.39) | CYP1A2ALDH1A1POLBHTR2AHTR2C | |
| SCHEMBL16979074 | 0.69 | CYP1A2 (0.44) | CYP1A2CYP2A6TAAR1HTR7 | |
| SCHEMBL27400363 | 0.67 | HTR2C (0.61) | HTR2AHTR2CHTR1DHTR7 | |
| SCHEMBL10667519 | 0.64 | HTR6 (0.33) | CYP1A2ALDH1A1POLBHTR2AHTR2C | |
| SCHEMBL18731902 | 0.63 | MAP3K14 (0.44) | ALDH1A1HTR2AHTR2CHTTTDP1 | |
| SCHEMBL20853272 | 0.63 | KDM4E (0.55) | CYP1A2ALDH1A1CYP2A6TSHRHTT | |
| SCHEMBL15345356 | 0.62 | CYP2A6 (0.64) | CYP1A2HTR2AHTR2CCYP2A6TAAR1 | |
| SCHEMBL22292651 | 0.61 | OPRM1 (0.37) | CYP1A2ALDH1A1POLBHTR2A | |
| SCHEMBL11389628 | 0.61 | HTT (0.43) | CYP1A2ALDH1A1HTR2AHTR2CTSHR |
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-3421464-B1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO LTD (CN) | 2021-11-24 | — | — | EP | disclosed |