Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | ADK | P55263 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11223817 | 0.83 | NOS1 (0.65) | NOS1ALDH1A1ADKMTORHSD17B10 | |
| SCHEMBL11218413 | 0.77 | POLB (0.50) | ALDH1A1MTORHSD17B10CASP1TRPM8 | |
| SCHEMBL11148029 | 0.75 | ALDH1A1 (0.48) | ALDH1A1ADKHSD17B10MAPK1TSHR | |
| SCHEMBL11225591 | 0.75 | KDM4E (0.45) | ALDH1A1ADKMAPK1MAPTTSHR | |
| SCHEMBL11222341 | 0.75 | CYP11B2 (0.61) | ALDH1A1HSD17B10CASP1TRPM8MAPK1 | |
| SCHEMBL14725974 | 0.74 | ALDH1A1 (0.48) | ALDH1A1ADKMTORMAPK1MAPT | |
| SCHEMBL11218532 | 0.74 | PIK3CA (0.47) | ALDH1A1ADKMTORMAPK1MAPT | |
| SCHEMBL5317835 | 0.74 | NOS1 (1.00) | NOS1ALDH1A1ADKMTORHSD17B10 | |
| Water SCHEMBL6491267 | 0.73 | NOS1 (0.98) | NOS1ALDH1A1ADKMTORHSD17B10 | |
| SCHEMBL1752981 | 0.72 | ALDH1A1 (0.55) | ALDH1A1MTORHSD17B10CASP1MAPK1 |
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-4343802-A | ADRENERGIC BLOCKING, ANTIARRYHYTHMIA, AND CARDIOTONIC AGENTS | MERCK, SHARP & DOHME (I.A.) CORP. (US) | 1982-08-10 | — | — | US | disclosed |
| US-4193995-A | B-ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1980-03-18 | — | — | US | disclosed |
| US-4042586-A | ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORPORATION (US) | 1977-08-16 | — | — | US | disclosed |
| US-3946009-A | ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORPORATION (US) | 1976-03-23 | — | — | US | disclosed |