Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL17436294 | 0.94 | ALDH1A1 (0.45) | ALDH1A1LMNAALOX5CA12CA1 | |
| SCHEMBL19043034 | 0.84 | ALOX5 (0.42) | ALDH1A1LMNAALOX5CA12CA1 | |
| SCHEMBL20594840 | 0.84 | ALDH1A1 (0.48) | ALDH1A1LMNAALOX5CA12CA1 | |
| SCHEMBL31396030 | 0.84 | ALDH1A1 (0.48) | ALDH1A1LMNAALOX5CA12CA1 | |
| SCHEMBL17444520 | 0.82 | OTUD7B (0.45) | HTTPDK2HPGDSMN1; SMN2 | |
| SCHEMBL24510662 | 0.82 | PDK2 (0.43) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL29743763 | 0.82 | PDK2 (0.43) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL29930324 | 0.82 | LMNA (0.41) | ALDH1A1LMNAALOX5CA12CA1 | |
| SCHEMBL17444524 | 0.81 | KDM1A (0.43) | ALDH1A1HSD17B10PDK2KDM4ESMN1; SMN2 | |
| SCHEMBL19028262 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNAALOX5CA12CA1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074812-B | Substituted pyrimidine compounds | 格吕伦塔尔有限公司 | 2020-08-21 | — | — | CN | disclosed |
| EP-3527561-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |
| EP-3527561-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |
| US-10189854-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2019-01-29 | — | — | US | disclosed |
| US-10189854-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2019-01-29 | — | — | US | disclosed |
| WO-2017108203-A1 | NOVEL SUBSTITUTED INDOLINE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS | Grünenthal GmbH (DE) | 2017-06-29 | — | — | WO | disclosed |
| WO-2017108203-A1 | NOVEL SUBSTITUTED INDOLINE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS | Grünenthal GmbH (DE) | 2017-06-29 | — | — | WO | disclosed |
| EP-3169681-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-03-09 | — | — | US | disclosed |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-03-09 | — | — | US | disclosed |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-03-09 | — | — | US | disclosed |
| US-9540349-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-9540349-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-9540349-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| WO-2016008593-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| WO-2016008593-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-01-21 | — | — | 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 (3 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-10189854-B2 | Substituted pyrimidine compounds | TYMP, PDE4A, DPYD | ALDH1A1 353/4885LMNA 4088/4885ALOX5 849/4885 |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | ALDH1A1 443/4885LMNA 4016/4885ALOX5 924/4885 |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | ALDH1A1 443/4885LMNA 4016/4885ALOX5 924/4885 |
“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.