Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | TNF | P01375 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9704225 | 0.84 | TRPA1 (0.51) | TRPA1MEN1KMT2ACYP3A4CYP1A2 | |
| Bromide SCHEMBL8002743 | 0.76 | MEN1 (0.60) | MEN1KMT2ACYP3A4CYP1A2CYP2D6 | |
| SCHEMBL30012624 | 0.75 | SMN1; SMN2 (0.45) | TRPA1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL4655563 | 0.74 | MEN1 (0.55) | TRPA1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL2460475 | 0.74 | MEN1 (0.66) | TRPA1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL12875031 | 0.73 | ALOX15 (0.45) | KMT2ASCN9ARAB9AALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL1022954 | 0.73 | MEN1 (0.64) | TRPA1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL30789068 | 0.72 | MEN1 (0.59) | TRPA1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL3974591 | 0.71 | CYP3A4 (0.54) | TRPA1MEN1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL30458203 | 0.71 | CYP3A4 (0.54) | TRPA1MEN1KMT2ACYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992011242-A1 | FUNGICIDAL ISOQUINOLINE DERIVATIVES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1992-07-09 | — | — | WO | disclosed |
| EP-0491441-A1 | Fungicidal isoquinoline derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-06-24 | — | — | EP | disclosed |