Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MPO | P05164 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8658753 | 0.84 | CA12 (0.57) | HDAC3HDAC1HDAC2GAACA1 | |
| SCHEMBL3203823 | 0.82 | CYP1A2 (0.76) | HDAC2ALDH1A1CYP1A2CYP2C19CYP2C9 | |
| Hydrochloric Acid SCHEMBL8658432 | 0.82 | CA12 (0.56) | HDAC3HDAC1HDAC2GAACA1 | |
| SCHEMBL2998085 | 0.82 | ALDH1A1 (0.64) | HDAC3HDAC1HDAC2ALDH1A1CYP1A2 | |
| SCHEMBL2998521 | 0.82 | HDAC3 (0.68) | HDAC3HDAC1HDAC2ALDH1A1CYP1A2 | |
| SCHEMBL3001447 | 0.81 | HDAC3 (0.81) | HDAC3HDAC1HDAC2ALDH1A1CYP1A2 | |
| SCHEMBL8248746 | 0.81 | HTT (0.60) | HDAC3HDAC1HDAC2ALDH1A1TDP1 | |
| Metazide SCHEMBL2109857 | 0.80 | ALDH1A1 (0.72) | HDAC3HDAC1HDAC2ALDH1A1CYP1A2 | |
| SCHEMBL9335619 | 0.79 | MAPT (0.54) | HDAC3HDAC1HDAC2ALDH1A1CYP2C19 | |
| SCHEMBL2994741 | 0.79 | TDP1 (0.68) | ALDH1A1CYP1A2CYP2C19CYP2C9TP53 |
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-1255748-A1 | BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001060813-A1 | BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-23 | — | — | WO | disclosed |