Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SCARB1 | Q8WTV0 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL19600179 | 0.78 | CYP2D6 (0.54) | TSHRCYP2D6KEAP1NFE2L2KDM4E | |
| SCHEMBL23965931 | 0.77 | CYP2D6 (0.53) | TSHRCYP2D6KEAP1NFE2L2KDM4E | |
| SCHEMBL17727606 | 0.74 | CYP2D6 (0.54) | TSHRCYP2D6KEAP1NFE2L2KDM4E | |
| SCHEMBL11367106 | 0.72 | ALDH1A1 (0.56) | TSHRCYP2D6KEAP1NFE2L2KDM4E | |
| SCHEMBL11378620 | 0.71 | ALDH1A1 (0.55) | TSHRCYP2D6KEAP1NFE2L2HRH3 | |
| SCHEMBL4312079 | 0.69 | CYP2D6 (0.47) | TSHRCYP2D6KDM4EALDH1A1NPC1 | |
| SCHEMBL11376649 | 0.69 | CYP2D6 (0.77) | TSHRCYP2D6KEAP1NFE2L2KDM4E | |
| SCHEMBL11507359 | 0.68 | KDM4E (0.66) | TSHRCYP2D6KEAP1NFE2L2KDM4E | |
| SCHEMBL14216877 | 0.68 | ALDH1A1 (0.64) | TSHRCYP2D6KDM4ETDP1LMNA | |
| SCHEMBL30462836 | 0.68 | ALDH1A1 (0.64) | TSHRCYP2D6KDM4ETDP1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3904343-A1 | AMINO QUINAZOLINONE, AMINO ISOQUINOLONE DERIVATIVES AND APPLICATION THEREOF | Zhejiang University (CN) | 2021-11-03 | — | — | EP | disclosed |