Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4476198 | 0.85 | TRIM24 (0.59) | KDM4EALDH1A1TRIM24TYRTRIM33 | |
| SCHEMBL23601820 | 0.85 | TRIM24 (0.46) | KDM4EALDH1A1TRIM24TYRTRIM33 | |
| SCHEMBL10457145 | 0.84 | KDM4E (0.58) | KDM4EALDH1A1HPGDLMNACYP3A4 | |
| SCHEMBL851752 | 0.80 | ALDH1A1 (0.40) | ESR2KDM4EALDH1A1GLAF2 | |
| SCHEMBL851753 | 0.80 | ALDH1A1 (0.40) | ESR2KDM4EALDH1A1GLAF2 | |
| SCHEMBL23796497 | 0.80 | POLB (0.42) | ESR2KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL3292760 | 0.79 | ALDH1A1 (0.71) | KDM4EALDH1A1TRIM24TYRTRIM33 | |
| SCHEMBL21994466 | 0.79 | ACHE (0.54) | ESR2KDM4EALDH1A1GLACYP1A2 | |
| SCHEMBL28750463 | 0.79 | KDM4E (0.56) | ESR2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL8502531 | 0.79 | CA12 (0.61) | ESR2KDM4EALDH1A1HPGDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019101086-A1 | HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF | 南京药捷安康生物科技有限公司 | 2019-05-31 | — | — | WO | disclosed |