Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 3/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5879095 | 0.81 | GRIK1 (0.41) | GRIK1TDP1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL14312304 | 0.81 | ALDH1A1 (0.41) | GRIK1TDP1GPR52ALDH1A1HPGD | |
| SCHEMBL3440752 | 0.81 | ALDH1A1 (0.41) | GRIK1TDP1GPR52ALDH1A1HPGD | |
| SCHEMBL3440751 | 0.81 | ALDH1A1 (0.41) | GRIK1TDP1GPR52ALDH1A1HPGD | |
| SCHEMBL10665830 | 0.79 | MAOB (0.46) | CYP1A1CYP1A2CYP1B1SNCAALDH1A1 | |
| SCHEMBL1274448 | 0.78 | GRIK1 (0.49) | GRIK1TDP1CYP1A2GPR52ALDH1A1 | |
| SCHEMBL8671784 | 0.77 | LSS (0.39) | TDP1SNCACA1CA2MAOA | |
| SCHEMBL7168307 | 0.76 | TDP1 (0.50) | GRIK1TDP1GPR52ALDH1A1HPGD | |
| SCHEMBL6053648 | 0.72 | TDP1 (0.46) | GRIK1TDP1GPR52ALDH1A1HPGD | |
| SCHEMBL105976 | 0.72 | TRPV1 (0.51) | GRIK1TDP1GPR52ALDH1A1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3400213-A1 | INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | Rijksuniversiteit Groningen (NL) | 2018-11-14 | — | — | EP | disclosed |
| WO-2017118762-A1 | INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2017-07-13 | — | — | WO | disclosed |
| EP-2648509-A2 | SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012077135-A2 | SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) | 2012-06-14 | — | — | WO | disclosed |