Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9848309 | 0.75 | MAOB (0.46) | MAOBMAOAACHETDP1SLC6A2 | |
| SCHEMBL21251390 | 0.72 | MAOB (0.48) | MAOBMAOAACHETDP1SLC6A2 | |
| SCHEMBL26958099 | 0.68 | MAOB (0.45) | MAOBMAOAACHETDP1OPRM1 | |
| SCHEMBL2640740 | 0.65 | OPRM1 (0.63) | MAOBMAOAACHETDP1OPRM1 | |
| SCHEMBL3587056 | 0.65 | MAOB (0.52) | MAOBMAOAACHETDP1OPRM1 | |
| P-Xylene SCHEMBL6272681 | 0.62 | ACHE (0.80) | ACHETDP1KMT2AALDH1A1LMNA | |
| P-Xylene SCHEMBL28442305 | 0.62 | ACHE (0.80) | ACHETDP1ALDH1A1LMNACES2 | |
| P-Xylene SCHEMBL28696945 | 0.62 | ACHE (0.80) | ACHETDP1ALDH1A1LMNACES2 | |
| P-Xylene SCHEMBL9720651 | 0.62 | ACHE (0.80) | ACHETDP1KMT2AALDH1A1LMNA | |
| P-Xylene SCHEMBL28540852 | 0.62 | ACHE (0.80) | ACHETDP1KMT2AALDH1A1LMNA |
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-0438715-A2 | 1,1-Bicyclo-substituted fluorinated cyclopentanes and method for their production | BAYER AG (DE) | 1991-07-31 | — | — | EP | disclosed |