Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9719786 | 0.85 | AKR1C3 (0.51) | AKR1C3PTGS1NPC1RAB9APOLB | |
| SCHEMBL1368545 | 0.85 | CES2 (0.49) | NPC1RAB9APOLBPDK1PDK2 | |
| SCHEMBL3936634 | 0.85 | AKR1C3 (0.51) | AKR1C3PTGS1NPC1RAB9APOLB | |
| SCHEMBL8780675 | 0.84 | PPARA (0.51) | NPC1RAB9APOLBCYP2C9PPARA | |
| SCHEMBL11665378 | 0.83 | AKR1C3 (0.50) | AKR1C3PTGS1NPC1RAB9APOLB | |
| SCHEMBL548030 | 0.82 | CETP (0.51) | AKR1C3PTGS1NPC1RAB9APOLB | |
| SCHEMBL10697799 | 0.82 | PKM (0.56) | AKR1C3PTGS1NPC1RAB9APOLB | |
| SCHEMBL9265354 | 0.80 | PKM (0.58) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL3550995 | 0.80 | AR (0.44) | NPC1RAB9APOLBCYP2C9PPARA | |
| SCHEMBL15557683 | 0.80 | POLB (0.53) | AKR1C3PTGS1NPC1RAB9APOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007140189-A2 | PREPARATION AND UTILITY OF SUBSTITUTED CARBOXYLIC ACID COMPOUNDS | AUSPEX PHARMACEUTICALS, INC. (US) | 2007-12-06 | — | — | WO | disclosed |
| US-4601797-A | Electrochemical carboxylation of p-isobutylacetophenone and other aryl ketones | MONSANTO COMPANY (US) | 1986-07-22 | — | — | US | disclosed |
| US-4304931-A | ANTIINFLAMMATORY AGENTS | THE BOOTS COMPANY LIMITED (GB) | 1981-12-08 | — | — | US | disclosed |
| US-4188491-A | PREPARING 2-(4-BIPHENYLYL)PROPIONIC ACIDS BY REACTING BIPHENYLYLMAGNESIUM BROMIDES WITH SODIUM PYRUVATE, ACIDIFYING | THE BOOTS COMPANY LIMITED (GB) | 1980-02-12 | — | — | US | disclosed |