Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | PKM | P14618 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9634637 | 0.83 | ALDH1A1 (0.47) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL10737800 | 0.82 | CYP1A1 (0.57) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL10061944 | 0.81 | KDM4E (0.66) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL10736285 | 0.80 | NPC1 (0.65) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL10736239 | 0.78 | CHEK1 (0.41) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL10740572 | 0.77 | HDAC3 (0.53) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL10739185 | 0.77 | ALDH1A1 (0.57) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL10741679 | 0.74 | DGAT1 (0.50) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL10737570 | 0.74 | ALDH1A1 (0.45) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A | |
| SCHEMBL11063370 | 0.74 | PDE5A (0.48) | ALDH1A1NPC1PKMSMN1; SMN2RAB9A |
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 4 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 |
| EP-0093951-A2 | 2-Aryl-tetraazaindenes | MERCK PATENT GmbH (DE) | 1983-11-16 | — | — | EP | disclosed |