Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | APAF1 | O14727 | 1/20 | 0.61 |
| ▸ | USP2 | O75604 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.58 |
| ▸ | GHSR | Q92847 | 1/20 | 0.56 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5992317 | 0.91 | LOXL2 (0.63) | CYP2A6ALDH1A1HPGDLOXL2GHSR | |
| SCHEMBL10078294 | 0.91 | LOXL2 (0.63) | CYP2A6ALDH1A1HPGDLOXL2GHSR | |
| SCHEMBL14950715 | 0.86 | MAPT (0.61) | CYP2A6ALDH1A1HPGDMEN1GAA | |
| SCHEMBL5991901 | 0.86 | MAPT (0.61) | CYP2A6ALDH1A1HPGDMEN1GAA | |
| SCHEMBL13232516 | 0.86 | MAPT (0.61) | CYP2A6ALDH1A1HPGDMEN1GAA | |
| SCHEMBL8060137 | 0.84 | MEN1 (0.80) | ALDH1A1HPGDMEN1GAAKMT2A | |
| SCHEMBL11826722 | 0.83 | HSD17B10 (0.58) | CYP2A6ALDH1A1HPGDMEN1GAA | |
| SCHEMBL91062 | 0.82 | CYP2A6 (1.00) | CYP2A6ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL11935852 | 0.82 | GHSR (0.53) | CYP2A6ALDH1A1HPGDLOXL2GHSR | |
| SCHEMBL5992840 | 0.82 | MEN1 (0.56) | MEN1KMT2APOLBMAPTLOXL2 |
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-4058477-A | P-((P-ALKYLBENZYLIDEN)AMINO)-BENZONITRILE | HOFFMANN-LA ROCHE INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-3963313-A | Liquid crystal Schiffs bases | HOFFMANN-LA ROCHE INC. (US) | 1976-06-15 | — | — | US | disclosed |