Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.56 |
| ▸ | DHFR | P00374 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | HEXA | P06865 | 2/20 | 0.43 |
| ▸ | HEXB | P07686 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3500167 | 0.80 | DHFR (0.61) | DHFRCYP1A2ADORA2AHEXAHEXB | |
| SCHEMBL1882625 | 0.78 | MAP4K4 (0.57) | DHFRHEXAHEXBRAB9ASMN1; SMN2 | |
| SCHEMBL12368259 | 0.78 | HEXA (0.68) | DHFRADORA1HEXAHEXBNPC1 | |
| SCHEMBL12368257 | 0.77 | HEXA (0.64) | DHFRCYP1A2ADORA2AHEXAHEXB | |
| SCHEMBL1885367 | 0.77 | HEXA (0.50) | DHFRCYP1A2HEXAHEXBALDH1A1 | |
| Metoprine SCHEMBL3681 | 0.77 | NPC1 (0.54) | IKBKBDHFRCYP1A2NPC1RAB9A | |
| SCHEMBL4530128 | 0.75 | IKBKB (0.55) | IKBKBDHFRHEXAHEXBKDM4E | |
| SCHEMBL10999078 | 0.75 | ALDH1A1 (0.48) | IKBKBDHFRCYP1A2HEXAHEXB | |
| SCHEMBL4532674 | 0.75 | NPC1 (0.43) | DHFRHEXAHEXBNPC1RAB9A | |
| Metoprine SCHEMBL4529657 | 0.75 | NPC1 (0.53) | IKBKBDHFRCYP1A2NPC1RAB9A |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1066719-C | Process for preparing compounds having pharmacological activity on the central nervous system | WELLCOME FOUND (GB) | 2001-06-06 | — | — | CN | disclosed |
| CN-1066720-C | Process for preparing compounds having pharmacological activity on the central nervous system | WELLCOME FOUND (GB) | 2001-06-06 | — | — | CN | 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 |
| US-5587380-A | ANTIISCHEMIC AGENTS | GLAXO WELLCOME INC. (US) | 1996-12-24 | — | — | US | 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-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-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-1117046-A | Method for preparing pharmaceutically active CNS compounds | WELLCOME FOUND (GB) | 1996-02-21 | — | — | CN | disclosed |
| CN-1115756-A | Method for preparing pharmaceutically active CNS compounds | WELLCOME FOUND (GB) | 1996-01-31 | — | — | CN | disclosed |
| US-5136080-A | Intermediates for glutamate inhibitors | BURROUGHS WELLCOME CO. (US) | 1992-08-04 | — | — | US | disclosed |
| EP-0372934-A2 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-06-13 | — | — | EP | disclosed |