Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4159791 | 1.00 | AKR1C2 (0.44) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8972907 | 0.86 | AKR1C2 (0.48) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8973400 | 0.85 | AKR1C2 (0.45) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8972368 | 0.83 | AKR1C2 (0.43) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8972398 | 0.83 | AKR1C2 (0.43) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8961310 | 0.83 | AKR1C2 (0.43) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8891576 | 0.83 | AKR1C2 (0.46) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8598938 | 0.83 | AKR1C2 (0.46) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8891560 | 0.83 | AKR1C2 (0.46) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 | |
| SCHEMBL8598935 | 0.83 | AKR1C2 (0.46) | AKR1C2MTNR1ACYP2C9CYP1A2CYP3A4 |
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-0819111-A1 | FUNGICIDAL COMPOUNDS | AgrEvo UK Limited (GB) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029301-A1 | FUNGICIDAL COMPOUNDS | AGREVO UK LIMITED (GB) | 1996-09-26 | — | — | WO | disclosed |