Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2560937 | 0.78 | MMP2 (0.47) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL11130220 | 0.78 | CYP2A6 (0.38) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL8329657 | 0.76 | CYP2A6 (0.44) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL1124751 | 0.73 | ALDH5A1 (0.52) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL27034753 | 0.73 | CYP2A6 (0.39) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL2563564 | 0.72 | EGFR (0.47) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL10799608 | 0.72 | KCNH2 (0.45) | CYP2A6LMNAKMT2A | |
| SCHEMBL4137976 | 0.72 | CYP2A6 (0.41) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL7461859 | 0.72 | FFAR1 (0.53) | ALDH1A1KDM4EHSD17B10LMNAMAPT | |
| SCHEMBL14068217 | 0.72 | ALDH1A1 (0.44) | ALDH1A1KDM4ECYP2A6LMNAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015069110-A1 | MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS | AAPA B.V. (NL) | 2015-05-14 | — | — | WO | disclosed |
| EP-2061449-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | Leo Pharma A/S (DK) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | disclosed |