Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.40 |
| ▸ | FEN1 | P39748 | 2/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CHRND | Q07001 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2582326 | 0.82 | CES1 (0.57) | CES2CES1ERCC5FEN1CHRNA1 | |
| SCHEMBL23709229 | 0.77 | CES2 (0.55) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL7868669 | 0.76 | TSHR (0.53) | — | |
| SCHEMBL28771713 | 0.74 | CES2 (0.57) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL1925141 | 0.74 | PLOD2 (0.66) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL20491395 | 0.74 | CES2 (0.52) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL25193546 | 0.74 | MEN1 (0.54) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL2273688 | 0.74 | CES2 (0.61) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL5253742 | 0.74 | CES2 (0.61) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL671907 | 0.74 | CES2 (0.61) | CES2CES1CHRNA1CHRNGCHRNB1 |
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-6323240-B1 | HALOGENATED DERIVATIVES AS ENZYME INHIBITORS | PHARMACIA & UPJOHN S.P.A. (IT) | 2001-11-27 | — | — | US | disclosed |