Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8610346 | 0.91 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL8610693 | 0.84 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL11133824 | 0.81 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL8609250 | 0.80 | ALDH1A1 (0.38) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL10787315 | 0.77 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL11006202 | 0.75 | ALDH1A1 (0.73) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL8610692 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL10603372 | 0.72 | CYP1A2 (0.58) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL17904682 | 0.72 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAAHTTTDP1 | |
| SCHEMBL7715034 | 0.71 | THRA (0.46) | ALDH1A1THRATHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0661258-B1 | Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses | CIRD GALDERMA (FR) | 1998-04-08 | — | — | EP | disclosed |
| 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 |