Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.49 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.49 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.49 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | PTPRG | P23470 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23792517 | 0.86 | TDP1 (0.59) | SIGMAR1HTTTRPV1CA2PLAAT3 | |
| SCHEMBL8065181 | 0.84 | MGAM (0.48) | HTTCA2PTPRGPIK3CAKMT2A | |
| SCHEMBL2251905 | 0.81 | PIK3CA (0.51) | SIGMAR1HTTCA2PIK3CAKMT2A | |
| SCHEMBL283587 | 0.80 | CA2 (0.71) | CA2PIK3CAKMT2AAKR1B1 | |
| SCHEMBL8406795 | 0.80 | L3MBTL1 (0.66) | SIGMAR1KMT2ACES2CES1AKR1B1 | |
| SCHEMBL1515710 | 0.80 | S1PR5 (0.59) | SIGMAR1CA2PTPRGPIK3CAPDPK1 | |
| SCHEMBL77563 | 0.79 | CES1 (0.70) | HTTKMT2ACES2CES1AKR1B1 | |
| SCHEMBL823446 | 0.79 | PNMT (0.52) | SIGMAR1CA2PIK3CAKMT2A | |
| SCHEMBL8376663 | 0.79 | TSHR (0.50) | CA2PIK3CAKMT2A | |
| SCHEMBL1351021 | 0.79 | PIK3CA (0.50) | SIGMAR1HTTCA2PIK3CAKMT2A |
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 6 patents. 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 |
| US-6048896-A | FOR TREATMENT OF BRAIN OR NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-04-11 | — | — | US | disclosed |
| EP-0858443-A1 | 4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-08-19 | — | — | EP | disclosed |
| EP-0858442-A1 | 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997017316-A1 | 4-PHENYL-4-OXO-2-BUTENOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-05-15 | — | — | WO | disclosed |
| WO-1997017317-A1 | 4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-05-15 | — | — | WO | disclosed |