Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | PDE5A | O76074 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10741664 | 0.85 | PTGES (0.52) | NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL10739495 | 0.76 | NPC1 (0.49) | NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL10743785 | 0.76 | PDE5A (0.60) | ALDH1A1HPGDPDE5AKDM4EUSP2 | |
| SCHEMBL7553973 | 0.75 | PDE5A (0.53) | NPC1ALDH1A1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7158379 | 0.75 | PDE5A (0.42) | NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL3799818 | 0.74 | NPC1 (0.68) | NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL10740903 | 0.74 | NPC1 (0.42) | NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL10740825 | 0.74 | F7 (0.55) | NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL7546955 | 0.74 | NPC1 (0.51) | NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1 | |
| SCHEMBL10740756 | 0.74 | PDE5A (0.62) | ALDH1A1SMN1; SMN2HPGDCYP1A2PDE5A |
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 |
|---|---|---|---|---|---|---|---|
| US-4654344-A | ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-03-31 | — | — | US | disclosed |
| EP-0093951-B1 | 2-ARYL-TETRAAZAINDENES | MERCK PATENT GmbH (DE) | 1986-10-29 | — | — | EP | disclosed |
| US-4575505-A | Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-03-11 | — | — | US | disclosed |
| US-4477454-A | INDOTROPIC AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-10-16 | — | — | US | disclosed |
| EP-0093951-A2 | 2-Aryl-tetraazaindenes | MERCK PATENT GmbH (DE) | 1983-11-16 | — | — | EP | disclosed |