Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | TYR | P14679 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KRAS | P01116 | 2/20 | 0.48 |
| ▸ | RHOA | P61586 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7813598 | 1.00 | ALDH1A1 (0.61) | ALDH1A1GLATYRHTTPTGES | |
| SCHEMBL14931946 | 1.00 | ALDH1A1 (0.61) | ALDH1A1GLATYRHTTPTGES | |
| SCHEMBL6588014 | 0.89 | ALDH1A1 (0.57) | ALDH1A1GLAHTTPTGESTDP1 | |
| SCHEMBL1531359 | 0.89 | TYR (0.59) | ALDH1A1GLATYRHTTPKM | |
| SCHEMBL1531361 | 0.89 | TYR (0.59) | ALDH1A1GLATYRHTTPKM | |
| SCHEMBL6588022 | 0.89 | ALDH1A1 (0.57) | ALDH1A1GLAHTTPTGESTDP1 | |
| SCHEMBL1531401 | 0.87 | TYR (0.58) | ALDH1A1GLATYRHTTPKM | |
| SCHEMBL1531400 | 0.87 | TYR (0.58) | ALDH1A1GLATYRHTTPKM | |
| SCHEMBL1173479 | 0.85 | PTGES (0.49) | ALDH1A1GLATYRPTGESLMNA | |
| SCHEMBL1173482 | 0.85 | PTGES (0.49) | ALDH1A1GLATYRPTGESLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016187667-A1 | FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS | NOVOGEN LIMITED (AU) | 2016-12-01 | — | — | WO | disclosed |
| EP-2310371-B1 | PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA | GENFIT (FR) | 2013-05-15 | — | — | EP | disclosed |
| EP-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |