Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 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 | |
|---|---|---|---|---|
| SCHEMBL7395822 | 0.89 | ACHE (0.40) | ACHEEPHX2EPHX1ALDH1A1AKR1B1 | |
| SCHEMBL473161 | 0.84 | EPHX1 (0.53) | ACHEEPHX2EPHX1ALDH1A1 | |
| SCHEMBL4736240 | 0.82 | EPHX1 (0.56) | ACHEEPHX2EPHX1ALDH1A1 | |
| SCHEMBL1161597 | 0.82 | ACHE (0.65) | ACHEEPHX2PLA2G2A | |
| SCHEMBL473278 | 0.82 | EPHX1 (0.56) | ACHEEPHX2EPHX1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10476067 | 0.81 | ACHE (0.62) | ACHEEPHX2PLA2G2A | |
| SCHEMBL855001 | 0.80 | EPHX1 (0.52) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL16824229 | 0.79 | EPHX1 (0.59) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL28079899 | 0.79 | EPHX1 (0.61) | ACHEEPHX1 | |
| SCHEMBL480293 | 0.77 | ACHE (0.68) | ACHEEPHX2 |
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 |