Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.48 |
| ▸ | UNG | P13051 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL10734023 | 0.92 | ALDH1A1 (0.74) | ALDH1A1CYP2A6KMT2AMCL1UNG | |
| Benzaldehyde SCHEMBL27768995 | 0.92 | ALDH1A1 (0.74) | ALDH1A1CYP2A6KMT2AMCL1UNG | |
| Benzaldehyde SCHEMBL27739369 | 0.88 | ALDH1A1 (0.67) | ALDH1A1CYP2A6KMT2AMCL1UNG | |
| Benzaldehyde SCHEMBL7762594 | 0.87 | ALDH1A1 (0.82) | ALDH1A1CYP2A6KMT2AUNGMAPT | |
| Benzaldehyde SCHEMBL30453456 | 0.87 | ALDH1A1 (0.82) | ALDH1A1CYP2A6KMT2AUNGMAPT | |
| Benzaldehyde SCHEMBL7190600 | 0.87 | ALDH1A1 (0.82) | ALDH1A1CYP2A6KMT2AUNGMAPT | |
| Benzaldehyde SCHEMBL28945328 | 0.87 | ALDH1A1 (0.93) | ALDH1A1CYP2A6KMT2AUNGMAPT | |
| Benzaldehyde SCHEMBL28324856 | 0.87 | ALDH1A1 (0.93) | ALDH1A1CYP2A6KMT2AUNGMAPT | |
| Benzaldehyde SCHEMBL20561045 | 0.85 | ALDH1A1 (0.70) | ALDH1A1CYP2A6KMT2AMCL1UNG | |
| Benzaldehyde SCHEMBL5707816 | 0.84 | ALDH1A1 (0.78) | ALDH1A1CYP2A6KMT2AUNGMAPT |
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-2688901-A1 | INHIBITORS OF 17ß-HSD1, 17ß-HSD3 AND 17ß-HSD10 | Université Laval (CA) | 2014-01-29 | — | — | EP | disclosed |
| WO-2012129673-A1 | INHIBITORS OF 17ß-HSD1, 17ß-HSD3 AND 17ß-HSD10 | UNIVERSITE LAVAL (CA) | 2012-10-04 | — | — | WO | disclosed |