Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9753264 | 0.84 | AKR1C3 (0.51) | CES2CES1POLBMAPTHTT | |
| SCHEMBL24038312 | 0.84 | CES2 (0.53) | CES2CES1POLBRAB9AKMT2A | |
| SCHEMBL7270788 | 0.84 | CES2 (0.53) | CES2CES1POLBRAB9AKMT2A | |
| SCHEMBL30070717 | 0.83 | POLB (0.68) | CES2CES1POLBRAB9AKMT2A | |
| SCHEMBL9211843 | 0.83 | POLB (0.68) | CES2CES1POLBRAB9AKMT2A | |
| SCHEMBL10877792 | 0.82 | FLT1 (0.55) | CES2CES1POLBRAB9AKMT2A | |
| SCHEMBL20158111 | 0.82 | CES2 (0.57) | CES2CES1RAB9AKMT2AMEN1 | |
| SCHEMBL19010187 | 0.81 | MAPT (0.71) | CES2CES1POLBRAB9AKMT2A | |
| SCHEMBL1821621 | 0.81 | NR4A1 (0.62) | CES2CES1POLBRAB9AKMT2A | |
| SCHEMBL1821601 | 0.81 | NR4A1 (0.62) | CES2CES1POLBRAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |