Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3406735 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL3376315 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL6436517 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL1575377 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL20529249 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL19923143 | 0.76 | KDM4E (0.57) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL1575198 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL6902242 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TSHRKDM4EPTGS2RAB9A | |
| SCHEMBL1965979 | 0.73 | ALDH1A1 (0.63) | ALDH1A1TSHRKDM4EALDH1A3CYP2A6 | |
| SCHEMBL2936342 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4EPTGS2RAB9A |
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-112679472-A | Isoquinoline compounds with IRAK4 inhibitor activity | 北京桦冠医药科技有限公司 | 2021-04-20 | — | — | CN | disclosed |