Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL851752 | 1.00 | ALDH1A1 (0.40) | ALDH1A1F2GLAHPGDESR2 | |
| SCHEMBL1805129 | 0.86 | KDM4E (0.50) | ALDH1A1F2GLAHPGDPDE3B | |
| SCHEMBL1805127 | 0.86 | KDM4E (0.50) | ALDH1A1F2GLAHPGDPDE3B | |
| SCHEMBL852815 | 0.81 | KDM4E (0.46) | ALDH1A1GLAHPGDKDM4EMAPT | |
| SCHEMBL852816 | 0.81 | KDM4E (0.46) | ALDH1A1GLAHPGDKDM4EMAPT | |
| SCHEMBL21040318 | 0.80 | ESR2 (0.44) | ALDH1A1F2GLAHPGDESR2 | |
| SCHEMBL851926 | 0.80 | PLA2G2A (0.41) | ALDH1A1HPGDKDM4EMAPTKMT2A | |
| SCHEMBL851927 | 0.80 | PLA2G2A (0.41) | ALDH1A1HPGDKDM4EMAPTKMT2A | |
| SCHEMBL852020 | 0.76 | BACE1 (0.51) | ALDH1A1GLAHPGDKDM4EMAPT | |
| SCHEMBL852019 | 0.76 | BACE1 (0.51) | ALDH1A1GLAHPGDKDM4EMAPT |
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-2432783-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | Abbott Laboratories (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135560-A1 | MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2010-11-25 | — | — | WO | disclosed |