Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733260 | 0.78 | OPRM1 (0.40) | ATML3MBTL1CHRM2CHRM1OPRM1 | |
| SCHEMBL24397800 | 0.78 | KEAP1 (0.41) | ATML3MBTL1CHRM2CHRM1CYP2D6 | |
| SCHEMBL16191512 | 0.75 | ATM (0.38) | ATML3MBTL1CHRM2CHRM1CYP2D6 | |
| Tert-Butylbenzene SCHEMBL6567015 | 0.74 | CHRM2 (0.41) | CHRM2CHRM1CYP2D6KCNH2OPRK1 | |
| SCHEMBL16191131 | 0.70 | CHRM3 (0.36) | ATML3MBTL1CHRM2CHRM1CYP2D6 | |
| Biphenyl SCHEMBL27952142 | 0.69 | RAB9A (0.44) | ALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL21752562 | 0.68 | HRH1 (0.59) | CYP2D6TSHRHRH1ALDH1A1SIGMAR1 | |
| SCHEMBL6061299 | 0.68 | BCHE (0.39) | TSHRALDH1A1TDP1SIGMAR1 | |
| Toluene SCHEMBL20530503 | 0.67 | LMNA (0.46) | ATML3MBTL1TSHRSIGMAR1 | |
| SCHEMBL17885874 | 0.67 | KEAP1 (0.47) | ATML3MBTL1CHRM2CHRM1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022090724-A1 | NOVEL COMPOUNDS | SITRYX THERAPEUTICS LIMITED (GB) | 2022-05-05 | — | — | WO | disclosed |