Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CCR6 | P51684 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 5/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 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 | |
|---|---|---|---|---|
| SCHEMBL11749827 | 1.00 | CYP2C19 (0.51) | CYP2C19CYP1A2CYP3A4HPGDPOLB | |
| SCHEMBL11755256 | 0.93 | MAPK14 (0.50) | CYP2C19CYP1A2CYP3A4HPGDPOLB | |
| SCHEMBL2744315 | 0.89 | NR4A2 (0.60) | CYP2C19CYP1A2CYP3A4HPGDNR4A2 | |
| SCHEMBL11752004 | 0.85 | NPC1 (0.49) | SMN1; SMN2MAPK14PTGS2PTGS1MAPK13 | |
| SCHEMBL11753795 | 0.85 | PTGS2 (0.50) | CYP2C19CYP1A2CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL11750924 | 0.85 | PTGS2 (0.50) | CYP2C19CYP1A2CYP3A4HPGDSMN1; SMN2 | |
| SCHEMBL11751493 | 0.85 | NPC1 (0.49) | SMN1; SMN2MAPK14PTGS2PTGS1MAPK13 | |
| SCHEMBL11754193 | 0.84 | RXRA (0.45) | CYP2C19CYP1A2CYP3A4HPGDPOLB | |
| SCHEMBL11751026 | 0.84 | ADORA2A (0.46) | CYP2C19CYP1A2CYP3A4HPGDPOLB | |
| SCHEMBL11752428 | 0.83 | RXRA (0.55) | CYP2C19CYP1A2CYP3A4HPGDPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4051250-A | OXAZOLE, THIAZOLE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-27 | — | — | US | disclosed |
| US-3933840-A | ANTIPHLOGISTIC | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-20 | — | — | US | disclosed |