Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 2/20 | 0.34 |
| ▸ | MC5R | P33032 | 2/20 | 0.34 |
| ▸ | MC3R | P41968 | 2/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9105568 | 0.89 | MDM2 (0.34) | TACR2MMP2MMP9HRH3 | |
| SCHEMBL9103685 | 0.89 | CDK4 (0.36) | TACR1PIM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9280399 | 0.87 | MAPT (0.37) | TACR1PIM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3701029 | 0.87 | TACR2 (0.45) | TACR2ACHETACR1HRH3CYP3A4 | |
| SCHEMBL9104196 | 0.82 | MDM2 (0.35) | TACR2 | |
| SCHEMBL9104517 | 0.81 | ALDH1A1 (0.35) | ACHE | |
| SCHEMBL3697589 | 0.79 | BCHE (0.37) | TACR2ACHE | |
| SCHEMBL3702676 | 0.77 | DRD3 (0.37) | PIM1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3698794 | 0.77 | SMN1; SMN2 (0.42) | TACR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3775360 | 0.77 | APAF1 (0.40) | PIM1CYP3A4CYP2D6CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2460798-A2 | APAF-1 INHIBITOR COMPOUNDS | Laboratorios SALVAT, S.A. (ES) | 2012-06-06 | — | — | EP | disclosed |