Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10390215 | 0.96 | ALDH1A1 (0.48) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL7393481 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL7013428 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL7388114 | 0.91 | ALDH1A1 (0.58) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL7392714 | 0.89 | ALDH1A1 (0.61) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL4742998 | 0.82 | ALDH1A1 (0.64) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL23014843 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL9672124 | 0.80 | SLC2A1 (0.44) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL5169003 | 0.80 | ALDH1A1 (0.74) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 | |
| SCHEMBL5167895 | 0.80 | ALDH1A1 (0.74) | ALDH1A1MAPK1HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4937268-A | TREATMENT OF ASTHMA, CHRONIC BRONCHITIS | GLAXO GROUP LIMITED (GB) | 1990-06-26 | — | — | US | disclosed |
| EP-0286242-A2 | Ethanolamine derivates, processes for their preparation and pharmaceutical compositions containing them | GLAXO GROUP LIMITED (GB) | 1988-10-12 | — | — | EP | disclosed |