Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9535832 | 0.87 | CYP1A2 (0.39) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9533413 | 0.82 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9170477 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL2919412 | 0.70 | ALDH1A1 (0.73) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL18082694 | 0.69 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9523046 | 0.69 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL8593062 | 0.69 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL9837128 | 0.69 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL7946700 | 0.68 | HDAC3 (0.47) | ALDH1A1CYP2C19HSD17B10KMT2A | |
| SCHEMBL2918809 | 0.68 | ALDH1A1 (0.70) | ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E |
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-5424308-A | Immunomodulating agents | FARMITALIA CARLO ERBA S.R.L. (IT) | 1995-06-13 | — | — | US | disclosed |
| EP-0347773-A1 | Condensed Pyrazole 3-oxo-propanenitrile derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1989-12-27 | — | — | EP | disclosed |