Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8905140 | 0.85 | CYP2C9 (0.42) | ALDH1A1CYP2C9CYP2C19KDM4ECYP1A2 | |
| SCHEMBL15254389 | 0.82 | CYP1A2 (0.48) | ALDH1A1CYP2C9CYP2C19KDM4ECYP1A2 | |
| SCHEMBL15254386 | 0.82 | CYP1A2 (0.48) | ALDH1A1CYP2C9CYP2C19KDM4ECYP1A2 | |
| SCHEMBL6687679 | 0.77 | CYP1A2 (0.47) | ALDH1A1CYP2C9CYP2C19CYP1A2ACHE | |
| SCHEMBL16585521 | 0.76 | PDK1 (0.39) | CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7149457 | 0.75 | MTNR1A (0.56) | MTNR1AHTR1ADRD3MAPTNPC1 | |
| SCHEMBL7951734 | 0.74 | MTNR1A (0.55) | MTNR1AMAPTNPC1 | |
| SCHEMBL31199115 | 0.72 | DRD2 (0.43) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| SCHEMBL32668882 | 0.72 | DRD2 (0.43) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| SCHEMBL5364032 | 0.72 | DRD2 (0.43) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |
| US-5616586-A | Tricyclic quinoxalinediones | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1997-04-01 | — | — | US | disclosed |
| EP-0642508-A1 | TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1995-03-15 | — | — | EP | disclosed |
| WO-1993008188-A1 | TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1993-04-29 | — | — | WO | disclosed |