Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.47 |
| ▸ | CHRNG | P07510 | 1/20 | 0.47 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | CHRND | Q07001 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL31083966 | 0.86 | OPRM1 (0.44) | OPRM1OPRL1OPRD1OPRK1MEN1 | |
| SCHEMBL13771426 | 0.85 | DRD2 (0.47) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL654668 | 0.85 | DRD2 (0.59) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| Tert-Butyl Formate SCHEMBL28103950 | 0.84 | CHRNA1 (0.38) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL9529474 | 0.83 | DRD2 (0.58) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL8959911 | 0.83 | OPRM1 (0.43) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL28299186 | 0.81 | OPRM1 (0.58) | OPRM1OPRL1OPRD1OPRK1CA12 | |
| SCHEMBL10319703 | 0.78 | OPRM1 (0.55) | OPRM1OPRL1OPRD1OPRK1CA12 | |
| SCHEMBL12317609 | 0.78 | OPRM1 (0.55) | OPRM1OPRL1OPRD1OPRK1CA12 | |
| SCHEMBL28707024 | 0.77 | LTA4H (0.46) | CA1CA2MAOBMAOATSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100210617-A1 | Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2010-08-19 | — | — | US | disclosed |
| US-20100210617-A1 | Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2010-08-19 | — | — | US | disclosed |
| US-20100210617-A1 | Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2010-08-19 | — | — | US | disclosed |
| EP-1904451-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | Astex Therapeutics Limited (GB) | 2008-04-02 | — | — | EP | disclosed |
| WO-2006136830-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100210617-A1 | Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors | ERBB2, ABL1, GRK2 | CHRNA1 1194/4885CHRNG 2648/4885CHRNB1 1232/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.