Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.43 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.43 |
| ▸ | APOB | P04114 | 1/20 | 0.42 |
| ▸ | MTTP | P55157 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | CCKAR | P32238 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3530287 | 0.95 | CYP1A2 (0.48) | CYP1A2CYP3A4HTTHDAC8HDAC6 | |
| SCHEMBL3536455 | 0.90 | HDAC8 (0.54) | CYP1A2CYP3A4HTTHDAC8HDAC6 | |
| SCHEMBL3533155 | 0.89 | KMT2A (0.48) | CYP1A2CYP3A4HTTHDAC8HDAC6 | |
| SCHEMBL3529909 | 0.88 | CYP1A2 (0.48) | CYP1A2CYP3A4HTTHDAC8HDAC6 | |
| SCHEMBL3536154 | 0.84 | HDAC8 (0.45) | CYP1A2CYP3A4HTTHDAC8HDAC6 | |
| SCHEMBL3526812 | 0.84 | CYP1A2 (0.43) | CYP1A2CYP3A4HTTHDAC8HDAC6 | |
| SCHEMBL3536495 | 0.83 | APP (0.44) | CYP1A2CYP3A4HTTHDAC8KDM4E | |
| SCHEMBL3534559 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP3A4HTTHDAC8KDM4E | |
| SCHEMBL3534412 | 0.82 | CYP1A2 (0.42) | CYP1A2CYP3A4HTTHDAC8HDAC6 | |
| SCHEMBL3528132 | 0.81 | HDAC8 (0.52) | CYP1A2CYP3A4HTTHDAC8KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742925-B1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | claimed |
| US-20070249631-A1 | Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds | GRUENENTHAL GMBH (DE) | 2007-10-25 | — | — | US | claimed |
| EP-1742925-B1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | disclosed |
| US-7662828-B2 | Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds | GRUENENTHAL GMBH (DE) | 2010-02-16 | — | — | US | disclosed |
| US-20090176811-A1 | Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds | GRUENENTHAL GMBH (DE) | 2009-07-09 | — | — | US | disclosed |
| US-20070249631-A1 | Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds | GRUENENTHAL GMBH (DE) | 2007-10-25 | — | — | 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 (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-20070249631-A1 | Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds | P2RX7, CYP2C8, P2RX5 | CYP1A2 51/4885CYP3A4 43/4885HTT 858/4885 |
| US-20090176811-A1 | Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds | P2RX7, P2RX5, DPYD | CYP1A2 47/4885CYP3A4 52/4885HTT 1459/4885 |
“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.