Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 4/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6823142 | 0.91 | CCR3 (0.58) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8340597 | 0.91 | CCR3 (0.58) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL12611607 | 0.88 | CCR3 (0.59) | CYP2D6ALDH1A1BCHEACHE | |
| SCHEMBL7071972 | 0.88 | CYP2D6 (0.83) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1944588 | 0.88 | CYP2D6 (0.83) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL21812109 | 0.86 | CTSS (0.61) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11199596 | 0.86 | CYP2D6 (0.60) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL9598912 | 0.86 | CTSS (0.61) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7514732 | 0.85 | CYP2D6 (0.59) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL12513821 | 0.85 | CYP2D6 (0.59) | CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002030897-A2 | COMPOSITIONS AND METHODS FOR REGULATING THE NERVOUS SYSTEM | FILLION GILLES (FR) | 2002-04-18 | — | — | WO | disclosed |
| EP-0705258-B1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1998-12-30 | — | — | EP | disclosed |
| US-5741800-A | ANTIINFLAMMATORY AGENT, ANTIALLERGENS | KNOLL AKTIENGESELLACHAFT (DE) | 1998-04-21 | — | — | US | disclosed |
| EP-0705258-A1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | Knoll AG (DE) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000507-A1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |
| US-5290789-A | Antipsychotically effective compounds | STERLING WINTROP INC. (US) | 1994-03-01 | — | — | US | disclosed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |