Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19776327 | 0.84 | MCL1 (0.36) | MCL1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL29939894 | 0.84 | MCL1 (0.36) | MCL1GAAMAPTCYP1A2CYP2C9 | |
| SCHEMBL946031 | 0.80 | HTT (0.38) | MCL1GAAMAPTERN1CA1 | |
| SCHEMBL27837496 | 0.80 | CYP2D6 (0.45) | GAAMAPTCYP1A2CA1CA2 | |
| SCHEMBL930175 | 0.78 | ERN1 (0.44) | MCL1MAPTCYP1A2CYP2C9ERN1 | |
| SCHEMBL28918987 | 0.78 | GAA (0.37) | MCL1GAAMAPTERN1CA1 | |
| SCHEMBL28060643 | 0.74 | ALDH1A1 (0.39) | MAPTCYP1A2LMNAHIF1ACYP3A4 | |
| SCHEMBL1639812 | 0.73 | GAA (0.58) | MCL1GAAMAPTERN1CA1 | |
| SCHEMBL23647915 | 0.73 | ERN1 (0.36) | MCL1MAPTCYP1A2CYP2C9ERN1 | |
| SCHEMBL3634811 | 0.72 | PYCR1 (0.44) | MAPTCYP1A2CYP2C9LMNAHIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1888538-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR | F. Hoffmann-Roche AG (CH) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006117305-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-09 | — | — | WO | disclosed |