Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | DDO | Q99489 | 1/20 | 0.41 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16740896 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KDM4EGAALOXL2CDC25B | |
| Hydrochloric Acid SCHEMBL16740892 | 0.73 | ALDH1A1 (0.96) | ALDH1A1KDM4EGAALOXL2CDC25B | |
| SCHEMBL1687342 | 0.71 | KDM4E (0.60) | ALDH1A1KDM4EGAALOXL2CDC25B | |
| SCHEMBL26361875 | 0.71 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAALOXL2CDC25B | |
| SCHEMBL7769044 | 0.69 | IDO1 (0.47) | ALDH1A1KDM4EGAACYP1A2DAO | |
| SCHEMBL28820480 | 0.68 | ALDH1A1 (0.51) | ALDH1A1KDM4ELOXL2CDC25BCYP1A2 | |
| SCHEMBL4010927 | 0.68 | ALDH1A1 (0.56) | ALDH1A1KDM4ETRPM4NQO2DAO | |
| SCHEMBL29624606 | 0.67 | KDM4E (1.00) | ALDH1A1KDM4EGAACYP1A2CYP2C19 | |
| SCHEMBL1193735 | 0.67 | KDM4E (1.00) | ALDH1A1KDM4EGAACYP1A2CYP2C19 | |
| SCHEMBL437148 | 0.64 | PTPN22 (0.56) | ALDH1A1KDM4ETRPM4CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4075344-A | 3-ALKOXYISOQUINOLINES FOR HYPOTENSIVE AND VASODILATING EFFECTS | MEAD JOHNSON & COMPANY (US) | 1978-02-21 | — | — | US | disclosed |
| US-4015006-A | 3(2H)-Isoquinolones therapeutic process | MEAD JOHNSON & COMPANY (US) | 1977-03-29 | — | — | US | disclosed |