Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6960031 | 0.86 | KMT2A (0.36) | KMT2AMEN1ALDH1A1PGRNPC1 | |
| SCHEMBL6966623 | 0.79 | KMT2A (0.34) | KMT2AMEN1ALDH1A1PGRBRD4 | |
| SCHEMBL6956503 | 0.75 | MEN1 (0.43) | KMT2AMEN1ALDH1A1NPC1BRD4 | |
| SCHEMBL6967604 | 0.75 | HPGD (0.37) | KMT2AMEN1ALDH1A1USP2TSHR | |
| SCHEMBL3415124 | 0.71 | APOBEC3G (0.39) | ALDH1A1NPC1TSHRPDCD1CD274 | |
| SCHEMBL6961936 | 0.71 | CYP1A2 (0.41) | KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6954301 | 0.66 | — | — | |
| SCHEMBL29156112 | 0.65 | APOBEC3G (0.36) | ALDH1A1NPC1TSHRPDCD1CD274 | |
| SCHEMBL8477459 | 0.65 | OPRM1 (0.31) | — | |
| SCHEMBL28783842 | 0.65 | AOC3 (0.33) | ALDH1A1PDCD1CD274 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0889033-B1 | ALPHA-SUBSTITUTED BENZYL HETEROCYCLIC DERIVATIVES, INTERMEDIATES FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT | SHIONOGI & CO (JP) | 2003-01-08 | — | — | EP | disclosed |
| US-6329371-B1 | HERBICIDES OR FUNGICIDES | SHIONOGI & CO., LTD. (JP) | 2001-12-11 | — | — | US | disclosed |
| US-6136837-A | α-substituted benzyl heterocyclic derivatives, intermediates for producing the same and agrochemical composition containing the same as active ingredient | SHIONOGI & CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-0889033-A1 | ALPHA-SUBSTITUTED BENZYL HETEROCYCLIC DERIVATIVES, INTERMEDIATES FOR PRODUCING THE SAME, AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT | SHIONOGI & CO., LTD. (JP) | 1999-01-07 | — | — | EP | disclosed |