Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | IDO1 | P14902 | 1/20 | 0.61 |
| ▸ | MLKL | Q8NB16 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MASP2 | O00187 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12737571 | 1.00 | TAAR1 (0.68) | TAAR1ALDH1A1POLBIDO1MLKL | |
| SCHEMBL524001 | 1.00 | TAAR1 (0.68) | TAAR1ALDH1A1POLBIDO1MLKL | |
| Hydrochloric Acid SCHEMBL2452918 | 0.98 | TAAR1 (0.66) | TAAR1ALDH1A1POLBIDO1MLKL | |
| Hydrochloric Acid SCHEMBL5207771 | 0.96 | TAAR1 (0.64) | TAAR1ALDH1A1POLBIDO1MLKL | |
| SCHEMBL7404694 | 0.85 | TAAR1 (0.64) | TAAR1ALDH1A1POLBIDO1MLKL | |
| SCHEMBL30665026 | 0.84 | ALDH1A1 (0.66) | TAAR1ALDH1A1POLBIDO1MLKL | |
| SCHEMBL2147079 | 0.84 | ALDH1A1 (0.66) | TAAR1ALDH1A1POLBIDO1MLKL | |
| SCHEMBL85832 | 0.84 | ALDH1A1 (0.66) | TAAR1ALDH1A1POLBIDO1MLKL | |
| SCHEMBL9746742 | 0.81 | TAAR1 (1.00) | TAAR1ALDH1A1POLBIDO1MLKL | |
| SCHEMBL14820674 | 0.81 | TAAR1 (1.00) | TAAR1ALDH1A1POLBIDO1MLKL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0869787-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1999-03-24 | — | — | EP | disclosed |
| EP-0869787-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997024119-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-10 | — | — | WO | disclosed |
| US-5430150-A | N-(1-(((1H-benzimidazol-2-ylmethyl)amino)carbonyl)-2-methyl -butyl)-3-(((1,1-dimethylethyl)amino)-carbonyl)decahydro-gamma-hydroxyalpha -(phenylmethyl)-2-isoquinolinepentanamide compounds; AIDS | AMERICAN CYANAMID COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| EP-0602306-A1 | Retroviral protease inhibitors | AMERICAN CYANAMID COMPANY (US) | 1994-06-22 | — | — | EP | disclosed |