Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9319749 | 0.87 | CNR1 (0.39) | NPC1RAB9ASMN1; SMN2PDK2 | |
| SCHEMBL9319601 | 0.84 | SKP2 (0.44) | NPC1MAPK1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL9318629 | 0.83 | RARB (0.43) | ALDH1A1LMNAKDM4EESR1 | |
| SCHEMBL9318365 | 0.82 | RARB (0.45) | ALDH1A1LMNAKDM4EESR1 | |
| SCHEMBL9318103 | 0.82 | RARB (0.45) | ALDH1A1LMNAKDM4EESR1 | |
| SCHEMBL9319032 | 0.82 | RARB (0.45) | ALDH1A1LMNAKDM4EESR1 | |
| SCHEMBL9318692 | 0.82 | RARB (0.45) | ALDH1A1LMNAKDM4EESR1 | |
| SCHEMBL9320383 | 0.82 | RARB (0.45) | ALDH1A1LMNAKDM4EESR1 | |
| SCHEMBL9320448 | 0.82 | RARB (0.45) | ALDH1A1LMNAKDM4EESR1 | |
| SCHEMBL9320471 | 0.82 | RARB (0.45) | ALDH1A1LMNAKDM4EESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5292454-A | Trifluorotoluene compounds, and a liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-03-08 | — | — | US | disclosed |