Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 5/20 | 0.39 |
| ▸ | PPARA | Q07869 | 5/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11237423 | 1.00 | NPC1 (0.43) | NPC1MAPTRAB9AALDH1A1TSHR | |
| SCHEMBL28212657 | 0.85 | GAA (0.44) | PPARGPPARAPPARD | |
| SCHEMBL11634454 | 0.82 | MGLL (0.51) | MAPTALDH1A1PPARD | |
| SCHEMBL28148535 | 0.81 | PPARG (0.48) | ALDH1A1TSHRLMNAPPARGPPARA | |
| SCHEMBL2238586 | 0.80 | PPARA (0.52) | ALDH1A1TSHRLMNACYP3A4CNR1 | |
| Ammonia Solution, Strong SCHEMBL28523622 | 0.80 | PPARG (0.47) | ALDH1A1TSHRLMNAPPARGPPARA | |
| SCHEMBL11767154 | 0.80 | PPARG (0.47) | ALDH1A1TSHRLMNAPPARGPPARA | |
| SCHEMBL15902943 | 0.78 | PPARG (0.46) | ALDH1A1TSHRLMNAPPARGPPARA | |
| SCHEMBL11633270 | 0.78 | AR (0.50) | NPC1RAB9ALMNA | |
| SCHEMBL11209349 | 0.74 | GAA (0.40) | TSHRCYP3A4PPARGPPARAPPARD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002081454-A1 | DERIVATIVES OF ARYL ACIDS, THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2002-10-17 | — | — | WO | disclosed |