Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8891560 | 1.00 | AKR1C2 (0.46) | AKR1C2CYP1A2CYP2A6MTNR1ACNR2 | |
| SCHEMBL8598935 | 0.86 | AKR1C2 (0.46) | AKR1C2CYP1A2MTNR1ACYP3A4CYP2D6 | |
| SCHEMBL8598938 | 0.86 | AKR1C2 (0.46) | AKR1C2CYP1A2MTNR1ACYP3A4CYP2D6 | |
| SCHEMBL8533283 | 0.85 | AKR1C2 (0.45) | AKR1C2CYP1A2MTNR1ACYP3A4CYP2D6 | |
| SCHEMBL8533289 | 0.85 | AKR1C2 (0.45) | AKR1C2CYP1A2MTNR1ACYP3A4CYP2D6 | |
| SCHEMBL8972816 | 0.84 | AKR1C2 (0.58) | AKR1C2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8626809 | 0.83 | AKR1C2 (0.44) | AKR1C2CYP1A2MTNR1ACYP3A4CYP2D6 | |
| SCHEMBL4159791 | 0.83 | AKR1C2 (0.44) | AKR1C2CYP1A2MTNR1ACYP3A4CYP2D6 | |
| SCHEMBL8598754 | 0.82 | AKR1C2 (0.43) | AKR1C2CYP1A2MTNR1ACYP3A4CYP2D6 | |
| SCHEMBL8889586 | 0.82 | AKR1C2 (0.43) | AKR1C2CYP1A2MTNR1ACNR2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997007099-A1 | ALPHA-METHOXYMETHYLENE OR ALPHA-METHOXYIMINO NAPHTHYLACETIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES | AGREVO UK LIMITED (GB) | 1997-02-27 | — | — | WO | disclosed |