Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | RARA | P10276 | 4/20 | 0.34 |
| ▸ | RARB | P10826 | 4/20 | 0.34 |
| ▸ | RARG | P13631 | 4/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 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 | |
|---|---|---|---|---|
| SCHEMBL4551737 | 0.79 | KDM4E (0.54) | ALDH1A1KDM4EUSP2TSHRNPC1 | |
| SCHEMBL3674766 | 0.78 | NPC1 (0.46) | ALDH1A1NPC1GAARAB9AKMT2A | |
| SCHEMBL21598296 | 0.77 | SNCA (0.38) | ALDH1A1NPC1GAARAB9AKMT2A | |
| SCHEMBL9135892 | 0.75 | KDM4E (0.45) | ALDH1A1KDM4ETSHRNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL1423177 | 0.72 | LRRK2 (0.31) | ALDH1A1TSHRKMT2A | |
| SCHEMBL9134585 | 0.66 | ALDH1A1 (0.43) | ALDH1A1USP2NPC1RAB9AKMT2A | |
| SCHEMBL797912 | 0.66 | KDM4E (0.46) | ALDH1A1KDM4ETSHRNPC1GAA | |
| SCHEMBL9135821 | 0.65 | HSD17B1 (0.50) | ALDH1A1TSHRNPC1RAB9AKMT2A | |
| SCHEMBL3673661 | 0.65 | BCAT2 (0.49) | ALDH1A1KDM4EUSP2TSHRNPC1 | |
| SCHEMBL6422582 | 0.64 | CYP1A2 (0.44) | ALDH1A1KDM4EUSP2TSHRKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019243971-A1 | NOVEL COMPOUNDS AND THEIR METHODS OF USE THEREOF | FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) | 2019-12-26 | — | — | WO | claimed |
| EP-2970313-A1 | SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS | Janssen Pharmaceutica N.V. (BE) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014159591-A1 | SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-10-02 | — | — | WO | disclosed |
| EP-2079466-A2 | SUBSTITUTED INDOLE COMPOUNDS | SmithKline Beecham Corporation (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008042571-A2 | SUBSTITUTED INDOLE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-10 | — | — | WO | disclosed |