Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.71 |
| ▸ | PPIA | P62937 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27345451 | 0.88 | HTT (0.71) | HTTPPIATSHRBRD4NPC1 | |
| SCHEMBL30128605 | 0.88 | HTT (0.60) | HTTPPIANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30772996 | 0.88 | HTT (0.71) | HTTPPIATSHRBRD4NPC1 | |
| SCHEMBL5591930 | 0.87 | HTT (0.55) | HTTPPIATSHRBRD4NPC1 | |
| SCHEMBL28000002 | 0.85 | HTT (0.67) | HTTPPIATSHRBRD4NPC1 | |
| SCHEMBL1179791 | 0.84 | HTT (0.65) | HTTPPIATSHRBRD4NPC1 | |
| SCHEMBL28137220 | 0.84 | HTT (0.65) | HTTPPIATSHRBRD4NPC1 | |
| SCHEMBL18640752 | 0.83 | HTT (1.00) | HTTPPIATSHRNPC1RAB9A | |
| SCHEMBL21206911 | 0.83 | RAB9A (0.61) | HTTNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4611494 | 0.82 | HTT (0.64) | HTTPPIATSHRBRD4NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0316668-B1 | USE OF A TETRAHYDRO-PYRIDO(2,3-D)PYRIMIDINE FOR OBTAINING AN ANALGETIC AGENT | MERCK PATENT GmbH (DE) | 1993-05-19 | — | — | EP | disclosed |
| US-4950648-A | SUBSTITUTED PYRIDO(2,3-D) OR PYRIMIDO(4,5-D) PYRIMIDINE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-08-21 | — | — | US | disclosed |
| EP-0316668-A2 | Use of a tetrahydro-pyrido(2,3-d)pyrimidine for obtaining an analgetic agent | MERCK PATENT GmbH (DE) | 1989-05-24 | — | — | EP | disclosed |