Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8477981 | 0.78 | MRGPRX4 (0.39) | CYP1A2CYP3A4CYP2C19MRGPRX4HPGD | |
| SCHEMBL6956503 | 0.76 | MEN1 (0.43) | CYP1A2CYP2C19MRGPRX4HPGDRAB9A | |
| SCHEMBL7535658 | 0.75 | MRGPRX4 (0.43) | CYP1A2CYP3A4CYP2C19MRGPRX4HPGD | |
| SCHEMBL6960031 | 0.73 | KMT2A (0.36) | ALDH1A1SMN1; SMN2KMT2AMEN1TDP1 | |
| SCHEMBL6963970 | 0.71 | KMT2A (0.36) | ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1 | |
| SCHEMBL6966623 | 0.69 | KMT2A (0.34) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL6743790 | 0.68 | MRGPRX4 (0.71) | CYP1A2CYP3A4CYP2C19MRGPRX4HPGD | |
| SCHEMBL31568518 | 0.68 | MRGPRX4 (0.67) | CYP1A2CYP3A4CYP2C19MRGPRX4HPGD | |
| SCHEMBL14051590 | 0.66 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19MRGPRX4HPGD | |
| SCHEMBL11271479 | 0.65 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2C19HPGDRAB9A |
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 |