Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3534370 | 0.75 | HTT (0.57) | HTTTSHRALDH1A1RAB9ANPC1 | |
| SCHEMBL3529909 | 0.73 | CYP1A2 (0.48) | HTTALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL3529163 | 0.72 | HTT (0.43) | HTTALDH1A1RAB9ANPC1KDM4E | |
| SCHEMBL3532073 | 0.72 | HTT (0.43) | HTTTSHRALDH1A1RAB9ANPC1 | |
| SCHEMBL3533381 | 0.72 | NR1H2 (0.40) | NR1H2ALDH1A1 | |
| SCHEMBL5546362 | 0.71 | HTT (0.41) | HTTTSHRALDH1A1RAB9ANPC1 | |
| SCHEMBL3526534 | 0.70 | HTT (0.46) | HTTTSHRALDH1A1RAB9ANPC1 | |
| SCHEMBL3530038 | 0.70 | HTT (0.46) | HTTALDH1A1RAB9APOLBNPC1 | |
| SCHEMBL3526691 | 0.70 | HDAC3 (0.41) | HTTRAB9ANPC1CYP3A4 | |
| SCHEMBL3532311 | 0.69 | TSHR (0.38) | HTTTSHRALDH1A1RAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | HTT 858/4885TSHR 3596/4885NR1H2 2364/4885 |
| 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 | HTT 1459/4885TSHR 3187/4885NR1H2 2736/4885 |
“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.