Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | EDNRA | P25101 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12200292 | 0.87 | SIGMAR1 (0.51) | SIGMAR1MTNR1AMTNR1BCYP1A2CYP2D6 | |
| SCHEMBL27324531 | 0.83 | EDNRA (0.52) | SIGMAR1MTNR1AMTNR1BCYP1A2CYP2C19 | |
| SCHEMBL8037310 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL901095 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL7901109 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL14226877 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL8055209 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL29568643 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL4931265 | 0.79 | CYP1A2 (0.46) | SIGMAR1MTNR1AMTNR1BCYP1A2CYP2D6 | |
| SCHEMBL2568184 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1100769-B1 | AMINOMETHYLCARBOXYLIC ACID DERIVATIVES | AKZO NOBEL NV (NL) | 2002-12-04 | — | — | EP | disclosed |
| US-6410592-B1 | THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS | AKZO NOBEL N.V. (NL) | 2002-06-25 | — | — | US | disclosed |
| EP-1100769-A1 | AMINOMETHYLCARBOXYLIC ACID DERIVATIVES | Akzo Nobel N.V. (NL) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000007978-A1 | AMINOMETHYLCARBOXYLIC ACID DERIVATIVES | AKZO NOBEL N.V. (NL) | 2000-02-17 | — | — | WO | disclosed |