Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADH5 | P11766 | 2/20 | 0.47 |
| ▸ | NR3C2 | P08235 | 5/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7809105 | 0.98 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL30558759 | 0.84 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL300802 | 0.84 | CYP3A4 (0.61) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL112456 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL7802849 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL1073638 | 0.79 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL8268417 | 0.79 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL30305324 | 0.79 | ADH5 (0.66) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL10763800 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 | |
| SCHEMBL15094392 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0787127-B1 | 5-LIPOXYGENASE INHIBITORS | PFIZER (US) | 2001-01-03 | — | — | EP | disclosed |
| US-6063928-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS | PFIZER INC (US) | 2000-05-16 | — | — | US | disclosed |
| US-5883106-A | 5-lipoxygenase inhibitors | PFIZER INC. (US) | 1999-03-16 | — | — | US | disclosed |
| EP-0787127-A1 | 5-LIPOXYGENASE INHIBITORS | PFIZER INC. (US) | 1997-08-06 | — | — | EP | disclosed |
| WO-1996011911-A1 | 5-LIPOXYGENASE INHIBITORS | PFIZER INC. (US) | 1996-04-25 | — | — | WO | disclosed |
| US-5223623-A | 2-substituted-1(4)-aryl piperazines and the process for their preparation | SCHERING AG (DE) | 1993-06-29 | — | — | US | disclosed |
| EP-0491709-A1 | 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-07-01 | — | — | EP | disclosed |
| US-5051422-A | 2-substituted-1(4)-aryl piperazines and the process for their preparation | SCHERING AG (DE) | 1991-09-24 | — | — | US | disclosed |
| WO-1991004250-A1 | 2-SUBSTITUTED-1(4)-ARYL PIPERAZINES AND THE PROCESS FOR THEIR PREPARATION | SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) | 1991-04-04 | — | — | WO | disclosed |