Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CHRND | Q07001 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 5/20 | 0.37 |
| ▸ | TMPRSS15 | P98073 | 5/20 | 0.37 |
| ▸ | ACE | P12821 | 3/20 | 0.36 |
| ▸ | ECE1 | P42892 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7908401 | 1.00 | CES2 (0.40) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL7899386 | 1.00 | CES2 (0.40) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL5889370 | 0.85 | HTT (0.50) | PRSS1TMPRSS15MAPTMAPK1RAB9A | |
| SCHEMBL5351455 | 0.85 | HTT (0.50) | PRSS1TMPRSS15MAPTMAPK1RAB9A | |
| SCHEMBL5355623 | 0.85 | HTT (0.50) | PRSS1TMPRSS15MAPTMAPK1RAB9A | |
| SCHEMBL7799498 | 0.85 | PLOD2 (0.51) | ACEKDM4EMAPTRAB9A | |
| SCHEMBL7799493 | 0.85 | PLOD2 (0.51) | ACEKDM4EMAPTRAB9A | |
| SCHEMBL7908676 | 0.83 | MAPT (0.43) | CES2CES1ITGB2ICAM1ITGAL | |
| SCHEMBL7907206 | 0.83 | KMO (0.56) | SLC6A3MAPT | |
| SCHEMBL7899412 | 0.83 | KMO (0.56) | SLC6A3MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6207709-B1 | FOR THERAPY AND PROPHYLAXIS OF NEURODEGENERATIVE DISEASES, SUCH AS HUNTINGTON'S CHOREA, ALZHEIMER'S DISEASE, DEMENTIA CAUSED BY AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFARCTUAL DEMENTIA, CEREBRAL ISCHEMIA, CEREBRAL HYPOXIA, EPILEPSY | PHARMACIA & UPJOHN S.P.A. (IT) | 2001-03-27 | — | — | US | disclosed |
| EP-0862551-B1 | FLUORO-SUBSTITUTED BENZOYLPROPIONIC ACID DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2000-05-31 | — | — | EP | disclosed |
| US-5973006-A | NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE; HUNTINGTON DISEASE; PARKINSON'S DISEASE | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-10-26 | — | — | US | disclosed |
| EP-0931056-A1 | N-SUBSTITUTED-2-AMINO-4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITORY ACTIVITY | PHARMACIA & UPJOHN S.p.A. (IT) | 1999-07-28 | — | — | EP | disclosed |
| WO-1998009938-A1 | N-SUBSTITUTED-2-AMINO-4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITORY ACTIVITY | PHARMACIA & UPJOHN S.P.A. (IT) | 1998-03-12 | — | — | WO | disclosed |