Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.38 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.38 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8207246 | 1.00 | ALDH1A1 (0.40) | ALDH1A1KIF11TRPV1PHGDHP2RX1 | |
| SCHEMBL8210065 | 0.84 | MAPT (0.41) | ALDH1A1KIF11TRPV1PHGDHP2RX1 | |
| SCHEMBL8210068 | 0.84 | MAPT (0.41) | ALDH1A1KIF11TRPV1PHGDHP2RX1 | |
| SCHEMBL7744112 | 0.78 | KIF11 (0.39) | KIF11MAPTTMPRSS4MAPK1RXFP1 | |
| SCHEMBL7744114 | 0.78 | KIF11 (0.39) | KIF11MAPTTMPRSS4MAPK1RXFP1 | |
| SCHEMBL8208248 | 0.77 | GAA (0.56) | ALDH1A1PHGDHP2RX1HPGDMAPT | |
| SCHEMBL16039766 | 0.71 | MAPT (0.47) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL4549453 | 0.71 | MAPT (0.47) | ALDH1A1TDP1CYP3A4ALOX15TSHR | |
| SCHEMBL9666013 | 0.71 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4HPGDALOX15 | |
| SCHEMBL31483978 | 0.71 | MAPT (0.60) | ALDH1A1TDP1CYP3A4HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1049663-A1 | ORGANIC NITRILE DERIVATIVES AND THEIR USE AS PESTICIDES | Novartis AG (CH) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999037603-A1 | ORGANIC NITRILE DERIVATIVES AND THEIR USE AS PESTICIDES | NOVARTIS AG (CH) | 1999-07-29 | — | — | WO | disclosed |