Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | DHFR | P00374 | 11/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | SCN4A | P35499 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.45 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.45 |
| ▸ | GHSR | Q92847 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5072676 | 0.84 | CYP2D6 (0.47) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| SCHEMBL29384947 | 0.80 | CYP2D6 (0.50) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| SCHEMBL310324 | 0.80 | CYP2D6 (0.50) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| SCHEMBL6049486 | 0.80 | CYP2D6 (0.50) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| SCHEMBL6049489 | 0.80 | HEXA (0.62) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| Hydrochloric Acid SCHEMBL7767228 | 0.79 | CYP2D6 (0.49) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| SCHEMBL5566857 | 0.77 | CYP2D6 (0.48) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| SCHEMBL14813234 | 0.77 | CYP1A2 (0.63) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| SCHEMBL5069251 | 0.76 | HEXA (0.48) | CYP1A2CYP3A4DHFRSMN1; SMN2CYP2D6 | |
| SCHEMBL6049459 | 0.72 | CYP2D6 (0.54) | CYP2D6MAOAMAPK1ADRA1ASCN4A |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0715851-B1 | Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders | WELLCOME FOUND (GB) | 2003-04-02 | — | — | EP | claimed |
| US-5597828-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS CEREBRAL ISCHEMIC DAMAGE AND EPILEPSY | GLAXO WELLCOME INC. (US) | 1997-01-28 | — | — | US | claimed |
| EP-1681058-A2 | Pharmacologically active cns compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 2006-07-19 | — | — | EP | disclosed |
| EP-1325916-A1 | Piperazinyl-substituted phenyl pyrimidine derivatives useful in the treatment or prevention of disorders of the central nervous system | THE WELLCOME FOUNDATION LIMITED (GB) | 2003-07-09 | — | — | EP | disclosed |
| EP-0715851-B1 | Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders | WELLCOME FOUND (GB) | 2003-04-02 | — | — | EP | disclosed |
| US-5712276-A | TREATING NERVOUS SYSTEM DISORDERS | GLAXO WELLCOME INC. (US) | 1998-01-27 | — | — | US | disclosed |
| US-5684005-A | PHENYLPYRIMIDINE COMPOUNDS AS INHIBITORS OF EXCITATORY AMINO ACID GLUTAMATE | GLAXO WELLCOME INC. (US) | 1997-11-04 | — | — | US | disclosed |
| US-5635507-A | PIPERAZINYL PHENYLPYRIMIDINE COMPOUND TREATING BRAIN DISORDER | GLAXO WELLCOME INC. (US) | 1997-06-03 | — | — | US | disclosed |
| US-5597828-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS CEREBRAL ISCHEMIC DAMAGE AND EPILEPSY | GLAXO WELLCOME INC. (US) | 1997-01-28 | — | — | US | disclosed |
| US-5597827-A | CENTRAL NERVOUS SYSTEM DISORDERS AND ANTIISCHEMIC AGENTS | GLAXO WELLCOME INC. | 1997-01-28 | — | — | US | disclosed |
| US-5591746-A | GLUTAMATE INHIBITORS; CENTRAL NERVOUS SYSTEM DISORDERS | GLAXO WELLCOME INC. | 1997-01-07 | — | — | US | disclosed |
| EP-0727213-A2 | Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-08-21 | — | — | EP | disclosed |
| EP-0727214-A2 | Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-08-21 | — | — | EP | disclosed |
| EP-0727212-A2 | Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-08-21 | — | — | EP | disclosed |
| EP-0715851-A2 | Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-06-12 | — | — | EP | disclosed |
| EP-0713703-A2 | Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-05-29 | — | — | EP | disclosed |
| CN-1113487-A | Method for preparing pharmaceutically active CNS compounds | WELLCOME FOUND (GB) | 1995-12-20 | — | — | CN | disclosed |
| US-5136080-A | Intermediates for glutamate inhibitors | BURROUGHS WELLCOME CO. (US) | 1992-08-04 | — | — | US | disclosed |
| CN-1052306-A | Compounds having pharmacological activity on the central nervous system | WELLCOME FOUND (GB) | 1991-06-19 | — | — | CN | disclosed |
| EP-0372934-A2 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-06-13 | — | — | EP | disclosed |