Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | AHR | P35869 | 3/20 | 0.41 |
| ▸ | NQO2 | P16083 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3166151 | 0.84 | ALDH1A1 (0.58) | CYP1A1CYP1B1ALDH1A1CYP2A6ESR1 | |
| SCHEMBL228003 | 0.84 | CYP1A1 (0.64) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 | |
| SCHEMBL13444759 | 0.83 | ESR1 (0.59) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 | |
| Water SCHEMBL28227114 | 0.82 | CYP1A1 (0.61) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 | |
| SCHEMBL31471620 | 0.81 | CYP1A1 (0.47) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 | |
| SCHEMBL24993379 | 0.80 | AHR (0.53) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 | |
| SCHEMBL13411260 | 0.80 | CYP1A1 (0.45) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 | |
| SCHEMBL1663786 | 0.80 | ALDH1A1 (0.58) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 | |
| SCHEMBL7147685 | 0.79 | AHR (0.64) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 | |
| SCHEMBL31115580 | 0.79 | FFAR1 (0.45) | CYP1A1CYP1B1ALDH1A1CYP2A6NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3921320-A1 | IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST | BeiGene, Ltd. (KY) | 2021-12-15 | — | — | EP | disclosed |
| CN-113454086-A | Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists | 百济神州有限公司 | 2021-09-28 | — | — | CN | disclosed |
| WO-2020160711-A1 | IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST | BEIGENE, LTD. (KY) | 2020-08-13 | — | — | WO | disclosed |