Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 1.00 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.69 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.69 |
| ▸ | EGFR | P00533 | 1/20 | 0.64 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.61 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.61 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.61 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.58 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.57 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3612716 | 1.00 | CYP2A6 (1.00) | CYP2A6PDGFRBPDGFRAEGFRCYP11B1 | |
| SCHEMBL29832072 | 0.97 | CYP2A6 (0.93) | CYP2A6PDGFRBPDGFRAEGFRCYP11B1 | |
| SCHEMBL17945834 | 0.89 | CYP2A6 (0.79) | CYP2A6PDGFRBPDGFRAEGFRCYP11B1 | |
| SCHEMBL17050891 | 0.88 | CYP2A6 (0.77) | CYP2A6PDGFRBPDGFRAEGFRCYP11B1 | |
| SCHEMBL321456 | 0.86 | CYP2A6 (0.75) | CYP2A6PDGFRBPDGFRAEGFRCYP11B1 | |
| SCHEMBL32667946 | 0.84 | PDGFRB (0.77) | CYP2A6PDGFRBPDGFRABIRC5PIK3CD | |
| SCHEMBL2772360 | 0.84 | PDGFRB (0.77) | CYP2A6PDGFRBPDGFRABIRC5PIK3CD | |
| SCHEMBL26560441 | 0.83 | CYP2A6 (0.71) | CYP2A6PDGFRBPDGFRAEGFRCYP11B1 | |
| SCHEMBL1423059 | 0.83 | CYP2A6 (0.70) | CYP2A6PDGFRBPDGFRAEGFRALDH1A1 | |
| SCHEMBL708999 | 0.83 | PDGFRB (0.75) | CYP2A6PDGFRBPDGFRABIRC5PIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| CN-119403554-A | Therapeutic or prophylactic agent for amyotrophic lateral sclerosis | 东丽株式会社 | 2025-02-07 | — | — | CN | disclosed |
| CN-116648245-A | Tetrahydroquinoline derivative and medical application thereof | 东丽株式会社 | 2023-08-25 | — | — | CN | disclosed |
| WO-2022138888-A1 | TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF | 東レ株式会社 | 2022-06-30 | — | — | WO | disclosed |