Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | HRH2 | P25021 | 3/20 | 0.38 |
| ▸ | HRH1 | P35367 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784589 | 0.76 | HTR3E (0.38) | NOS3NOS1ALDH1A1NPC1RAB9A | |
| SCHEMBL7793328 | 0.76 | HTR3E (0.38) | NOS3NOS1NPC1RAB9A | |
| SCHEMBL7281867 | 0.72 | ESR2 (0.59) | HRH3HRH2HRH1CA12CA2 | |
| SCHEMBL22816139 | 0.72 | ESR2 (0.59) | HRH3HRH2HRH1CA12CA2 | |
| SCHEMBL7281861 | 0.72 | ESR2 (0.59) | HRH3HRH2HRH1CA12CA2 | |
| SCHEMBL7790490 | 0.71 | NOS3 (0.43) | NOS3NOS1CA12CA2CA9 | |
| SCHEMBL24414319 | 0.68 | HRH3 (0.61) | HRH3HRH2HRH1 | |
| SCHEMBL22138856 | 0.68 | HRH3 (0.61) | HRH3HRH2HRH1 | |
| SCHEMBL9291099 | 0.68 | ESR2 (0.53) | HRH3HRH2HRH1MMP3NPC1 | |
| SCHEMBL8730500 | 0.68 | ESR2 (0.53) | HRH3HRH2HRH1CA12CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150963-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Aventis Pharma Deutschland GmbH (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000046214-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-08-10 | — | — | WO | disclosed |