Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.57 |
| ▸ | MAOB | P27338 | 6/20 | 0.54 |
| ▸ | GPR34 | Q9UPC5 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | LAP3 | P28838 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL9054167 | 0.93 | LTA4H (0.65) | LTA4HMAOBCYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL9054687 | 0.91 | LTA4H (0.63) | LTA4HMAOBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8866173 | 0.91 | LTA4H (0.62) | LTA4HMAOBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8866250 | 0.90 | LTA4H (0.65) | LTA4HMAOBCYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL8865569 | 0.90 | LTA4H (0.60) | LTA4HMAOBCYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL8866048 | 0.88 | LTA4H (0.63) | LTA4HMAOBCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3285416 | 0.84 | EPHX1 (0.50) | CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL9205510 | 0.83 | EPHX1 (0.48) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3282141 | 0.81 | CYP2D6 (0.47) | CYP1A2CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL4337813 | 0.81 | MEN1 (0.68) | MAOBCYP1A2CYP2C19ARMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| US-5776983-A | ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |