Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.43 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 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 | |
|---|---|---|---|---|
| SCHEMBL189065 | 0.91 | HRH3 (0.53) | HRH3SMN1; SMN2CHRM2CHRM1 | |
| SCHEMBL19207191 | 0.83 | HRH3 (0.45) | HRH3CHRM2CYP2D6CHRM1 | |
| SCHEMBL333383 | 0.82 | HRH1 (0.43) | HRH3SLC6A2SLC6A3 | |
| SCHEMBL1897422 | 0.82 | HRH3 (0.68) | HRH3MAOAMAOBCARM1PRMT6 | |
| SCHEMBL3436987 | 0.81 | SMN1; SMN2 (0.71) | HRH3SMN1; SMN2CARM1PRMT6CHRM2 | |
| SCHEMBL14577976 | 0.81 | HRH3 (0.67) | HRH3SMN1; SMN2MAOAMAOBCARM1 | |
| SCHEMBL5657345 | 0.81 | HRH3 (0.68) | HRH3SMN1; SMN2CARM1PRMT6DRD3 | |
| SCHEMBL7020382 | 0.80 | HRH3 (0.53) | HRH3SMN1; SMN2MAOAMAOBCARM1 | |
| SCHEMBL188685 | 0.79 | HRH3 (0.65) | HRH3SMN1; SMN2MAOAMAOBCARM1 | |
| SCHEMBL5543389 | 0.79 | HRH3 (0.65) | HRH3SMN1; SMN2MAOAMAOBCYP2D6 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7371747-B2 | Cyanoalkylamino derivatives as protease inhibitors | MERCK FROSST CANADA & CO. (CA) | 2008-05-13 | — | — | US | claimed |
| EP-1446115-B1 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-02-27 | — | — | EP | claimed |
| EP-1446115-A4 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-02-02 | — | — | EP | claimed |
| US-20050014941-A1 | Cyanoalkylamino derivatives as protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2005-01-20 | — | — | US | claimed |
| EP-1446115-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-08-18 | — | — | EP | claimed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | WO | claimed |
| EP-2736514-B1 | ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS | NERVIANO MEDICAL SCIENCES SRL (IT) | 2017-10-18 | — | — | EP | disclosed |
| EP-2736514-A1 | ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2014-06-04 | — | — | EP | disclosed |
| WO-2013014039-A1 | ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2013-01-31 | — | — | WO | disclosed |
| US-8288396-B2 | Pyrimidopyrimidoindazole derivative | MSDKK (JP) | 2012-10-16 | — | — | US | disclosed |
| EP-2493571-A1 | ALKYNYL DERIVATIVES USEFUL AS DPP-1 INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2012-09-05 | — | — | EP | disclosed |
| US-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| EP-2058315-A1 | 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors | Nerviano Medical Sciences S.r.l. (IT) | 2009-05-13 | — | — | EP | disclosed |
| US-7371747-B2 | Cyanoalkylamino derivatives as protease inhibitors | MERCK FROSST CANADA & CO. (CA) | 2008-05-13 | — | — | US | disclosed |
| EP-1446115-B1 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-02-27 | — | — | EP | disclosed |
| EP-1446115-A4 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-02-02 | — | — | EP | disclosed |
| US-20050014941-A1 | Cyanoalkylamino derivatives as protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2005-01-20 | — | — | US | disclosed |
| EP-1446115-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | 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 (2 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-20050014941-A1 | Cyanoalkylamino derivatives as protease inhibitors | CTSB, CTSK, CTSS | HRH3 1671/4885SMN1; SMN2 4293/4885MAOA 744/4885 |
| US-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | WEE1, WEE2, DCK | HRH3 1505/4885SMN1; SMN2 4848/4885MAOA 2305/4885 |
“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.