Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | ECE1 | P42892 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | RARG | P13631 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7386752 | 0.88 | CYP3A4 (0.51) | HRH4ALDH1A1MMECYP3A4CYP2D6 | |
| SCHEMBL7387364 | 0.85 | HRH4 (0.57) | HRH4ALDH1A1MEN1HPGDKMT2A | |
| Hydrochloric Acid SCHEMBL5492509 | 0.84 | HRH4 (0.56) | HRH4ALDH1A1MEN1HPGDKMT2A | |
| Hydrochloric Acid SCHEMBL5492506 | 0.84 | HRH4 (0.56) | HRH4ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL21342932 | 0.83 | KMT2A (0.57) | HRH4ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL7434931 | 0.83 | HRH4 (0.64) | HRH4MMEECE1CYP1A2CYP3A4 | |
| SCHEMBL7434918 | 0.83 | HRH4 (0.64) | HRH4MMEECE1CYP1A2CYP3A4 | |
| SCHEMBL7395007 | 0.82 | HRH4 (0.52) | HRH4ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL7298430 | 0.82 | ACE (0.66) | MMEACE | |
| SCHEMBL7298424 | 0.82 | ACE (0.66) | MMEACE |
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-5504070-A | ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1996-04-02 | — | — | US | disclosed |
| WO-1993011154-A1 | INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN | BERLEX LABORATORIES, INC. (US) | 1993-06-10 | — | — | WO | disclosed |