Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | MTOR | P42345 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Nifenalol SCHEMBL79725 | 1.00 | NPC1 (0.66) | NPC1ALDH1A1NPSR1ADRB2ADRB1 | |
| Nifenalol SCHEMBL9118298 | 0.98 | NPC1 (0.64) | NPC1ALDH1A1NPSR1ADRB2ADRB1 | |
| Nifenalol SCHEMBL28286362 | 0.97 | NPC1 (0.62) | NPC1ALDH1A1NPSR1ADRB2ADRB1 | |
| Sotalol SCHEMBL10898829 | 0.87 | ADRB3 (0.78) | NPC1ALDH1A1NPSR1ADRB2ADRB1 | |
| SCHEMBL4627256 | 0.86 | NPC1 (0.61) | NPC1ALDH1A1NPSR1ADRB2ADRB1 | |
| SCHEMBL2299495 | 0.84 | MEN1 (0.62) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL2292066 | 0.84 | MEN1 (0.62) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL28727682 | 0.84 | MEN1 (0.62) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL2292479 | 0.84 | MEN1 (0.62) | NPC1ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL2295250 | 0.84 | MEN1 (0.62) | NPC1ALDH1A1NPSR1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005099699-A1 | COMBINATION OF (S)-AMLODIPINE AND A BETA-BLOCKER, AND METHODS FOR REDUCING HYPERTENSION | SEPRACOR INC. (US) | 2005-10-27 | — | — | WO | disclosed |