Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15430216 | 0.85 | PKM (0.58) | PKMCYP1A2CYP2C19NPC1RAB9A | |
| SCHEMBL9719786 | 0.83 | AKR1C3 (0.51) | AKR1C3PPARAPTGS1NPC1POLB | |
| SCHEMBL3936634 | 0.83 | AKR1C3 (0.51) | AKR1C3PPARAPTGS1NPC1POLB | |
| SCHEMBL11665378 | 0.82 | AKR1C3 (0.50) | AKR1C3PPARAPTGS1NPC1POLB | |
| SCHEMBL7319456 | 0.82 | AKR1C3 (0.50) | AKR1C3PPARAPTGS1NPC1POLB | |
| SCHEMBL26965518 | 0.81 | PKM (0.54) | PKMCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL59841 | 0.78 | CYP1A2 (0.58) | PKMCYP1A2CYP2C19CYP2D6HDAC8 | |
| SCHEMBL222049 | 0.78 | CYP1A2 (0.58) | PKMCYP1A2CYP2C19CYP2D6HDAC8 | |
| SCHEMBL220775 | 0.78 | CYP1A2 (0.58) | PKMCYP1A2CYP2C19CYP2D6HDAC8 | |
| SCHEMBL11318442 | 0.78 | AKR1C3 (0.46) | AKR1C3PPARAPTGS1NPC1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0255178-A2 | Process for preparing hetero aryl and aryl alkanoic acids | Nobel Chemicals AB (SE) | 1988-02-03 | — | — | EP | disclosed |