Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 5/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL12716003 | 0.87 | PARP1 (0.68) | PARP1PARP2HTTLMNAALDH1A1 | |
| SCHEMBL12714306 | 0.85 | PARP1 (0.50) | PARP1PARP2HTTLMNAALOX15 | |
| SCHEMBL12714915 | 0.83 | PARP1 (0.52) | PARP1PARP2HTTLMNAALDH1A1 | |
| SCHEMBL12714900 | 0.82 | PARP1 (0.68) | PARP1PARP2HTTLMNAALDH1A1 | |
| SCHEMBL12716334 | 0.82 | PARP1 (0.51) | PARP1PARP2HTTLMNAALDH1A1 | |
| SCHEMBL12716149 | 0.82 | PARP1 (0.45) | PARP1PARP2HTTLMNAALOX15 | |
| SCHEMBL10169866 | 0.82 | PARP1 (0.68) | PARP1PARP2HTTLMNAALOX15 | |
| SCHEMBL12716060 | 0.82 | PARP1 (0.51) | PARP1PARP2HTTLMNAALDH1A1 | |
| SCHEMBL805487 | 0.81 | PARP1 (0.47) | PARP1PARP2HTTLMNAALOX15 | |
| SCHEMBL11956536 | 0.81 | PARP1 (0.47) | PARP1PARP2HTTLMNAALOX15 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9777005-B2 | Bicyclic heterocyclic compound containing a substituted pyrrole ring | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-10-03 | — | — | US | disclosed |
| US-9732086-B2 | — | — | 2017-08-15 | — | — | US | disclosed |
| US-20150307497-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-29 | — | — | US | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-20110086842-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-14 | — | — | US | disclosed |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | GRUENENTHAL GMBH (DE) | 2011-01-13 | — | — | US | disclosed |
| US-20100222324-A1 | Substituted Indole Compounds | GRUENENTHAL GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| US-20090163465-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-25 | — | — | US | disclosed |
| US-20090149438-A1 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-11 | — | — | US | disclosed |
| US-7521457-B2 | Pyrimidines as PLK inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-21 | — | — | US | 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 (7 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-20100222324-A1 | Substituted Indole Compounds | BDKRB1, BDKRB2, EDNRB | PARP1 1694/4885PARP2 3362/4885HTT 1159/4885 |
| US-20090163465-A1 | Pyrimidines as PLK inhibitors | PLK2, PLK3, TYMP | PARP1 125/4885PARP2 361/4885HTT 4261/4885 |
| US-20110086842-A1 | Pyrimidines as PLK inhibitors | PLK2, PLK3, TYMP | PARP1 125/4885PARP2 361/4885HTT 4261/4885 |
| US-20150307497-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | CHRM1, CHRM2, CHRM4 | PARP1 4215/4885PARP2 4816/4885HTT 1113/4885 |
| US-20090149438-A1 | Pyrimidines as PLK inhibitors | PLK2, PLK3, TYMP | PARP1 125/4885PARP2 361/4885HTT 4261/4885 |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | BDKRB1, BDKRB2, BRD1 | PARP1 1156/4885PARP2 1862/4885HTT 613/4885 |
| US-20120071461-A1 | Substituted Benzamide Compounds | BDKRB1, BDKRB2, HRH2 | PARP1 1532/4885PARP2 1945/4885HTT 2709/4885 |
“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.