Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29771456 | 0.84 | CA2 (0.57) | ALDH1A1KDM4ECA1CA2CA12 | |
| SCHEMBL142899 | 0.84 | CA2 (0.57) | ALDH1A1KDM4ECA1CA2CA12 | |
| SCHEMBL8609250 | 0.81 | ALDH1A1 (0.38) | ALDH1A1KDM4ECA1CA2CA12 | |
| SCHEMBL8611764 | 0.81 | MAPT (0.42) | ALDH1A1KDM4ECA1CA2CA12 | |
| SCHEMBL8610692 | 0.80 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAARXRARXRB | |
| Phenol SCHEMBL28311364 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4ECA1CA2CA12 | |
| SCHEMBL8610693 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAARXRARXRB | |
| SCHEMBL460339 | 0.74 | CYP1A2 (0.49) | ALDH1A1KDM4EGAARXRARXRB | |
| SCHEMBL12078473 | 0.74 | HTR6 (0.46) | ALDH1A1KDM4ECA1CA2CA12 | |
| SCHEMBL31708116 | 0.74 | CA1 (0.44) | ALDH1A1KDM4ECA1CA2CA12 |
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-0661258-A1 | Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) | 1995-07-05 | — | — | EP | disclosed |