Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9327289 | 0.89 | AKR1C3 (0.51) | AKR1C3POLBTP53NPSR1GAA | |
| SCHEMBL11113957 | 0.84 | CES2 (0.52) | POLBTP53MAPTNPC1MAPK1 | |
| SCHEMBL28384878 | 0.83 | AKR1C3 (0.61) | AKR1C3POLBTP53NPSR1GAA | |
| SCHEMBL29356028 | 0.81 | NPSR1 (0.60) | AKR1C3POLBTP53NPSR1GAA | |
| SCHEMBL31052933 | 0.81 | TDP1 (0.57) | AKR1C3POLBTP53GAAMAPT | |
| SCHEMBL333382 | 0.81 | CES2 (0.59) | AKR1C3GAAMAPTNPC1CES2 | |
| SCHEMBL29367263 | 0.81 | CES2 (0.59) | AKR1C3GAAMAPTNPC1CES2 | |
| SCHEMBL305558 | 0.81 | NPSR1 (0.60) | AKR1C3POLBTP53NPSR1GAA | |
| SCHEMBL9217336 | 0.80 | AKR1C3 (0.68) | AKR1C3POLBTP53NPSR1MAPT | |
| SCHEMBL5383825 | 0.80 | MAPT (0.73) | AKR1C3POLBTP53NPSR1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991007380-A1 | ARTHROPODICIDES | DUNLENA PTY. LTD. (AU) | 1991-05-30 | — | — | WO | disclosed |
| US-4454350-A | Process for the acylation of halo- or trihalomethylbenzenes | RHONE-POULENC SPECIALITIES CHIMIQUES (FR) | 1984-06-12 | — | — | US | disclosed |
| US-4453012-A | REACTION OF A HALO OR TRIHALOMETHYL BENZENE WITH A TRIHALOMETHYLATED ALIPHATIC OR AROMATIC COMPOUND | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1984-06-05 | — | — | US | disclosed |