Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT2B | Q92831 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GRM8 | O00222 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL9300696 | 1.00 | KAT2B (0.60) | KAT2BALDH1A1NPC1RAB9AMAPT | |
| Hydrochloric Acid SCHEMBL10437435 | 0.99 | KAT2B (0.61) | KAT2BALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL8749857 | 0.89 | KAT2B (0.47) | KAT2BALDH1A1MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9225184 | 0.88 | KAT2B (0.48) | KAT2BALDH1A1GRM8GRM4HCAR3 | |
| SCHEMBL31083493 | 0.84 | ALDH1A1 (0.57) | ALDH1A1NPC1MAPTMEN1KMT2A | |
| SCHEMBL6226433 | 0.84 | ALDH1A1 (0.57) | ALDH1A1NPC1MAPTMEN1KMT2A | |
| SCHEMBL295431 | 0.84 | ALDH1A1 (0.57) | ALDH1A1NPC1MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL29399068 | 0.83 | ALDH1A1 (0.56) | KAT2BALDH1A1MAPTGRM8GRM4 | |
| SCHEMBL9299748 | 0.83 | KAT2B (0.62) | KAT2BALDH1A1MAPTGRM8GRM4 | |
| Hydrochloric Acid SCHEMBL1567843 | 0.83 | ALDH1A1 (0.56) | KAT2BALDH1A1MAPTGRM8GRM4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994012163-A1 | 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE | ABBOTT LABORATORIES (US) | 1994-06-09 | — | — | WO | claimed |
| US-5362747-A | Promoters, inhibitors | ABBOTT LABORATORIES (US) | 1994-11-08 | — | — | US | disclosed |
| WO-1994012163-A1 | 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE | ABBOTT LABORATORIES (US) | 1994-06-09 | — | — | WO | disclosed |