Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 2/20 | 0.35 |
| ▸ | NRAS | P01111 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2146023 | 1.00 | NPC1 (0.43) | NPC1SIGMAR1LIPGMCHR1REN | |
| SCHEMBL79064 | 0.90 | NPC1 (0.50) | NPC1SIGMAR1LIPGMCHR1HRH3 | |
| Hydrochloric Acid SCHEMBL15352413 | 0.89 | NPC1 (0.49) | NPC1LIPGMCHR1HRH3KDM4E | |
| SCHEMBL14681430 | 0.86 | NPC1 (0.44) | NPC1SIGMAR1LIPGMCHR1HRH3 | |
| SCHEMBL2146296 | 0.85 | NPC1 (0.52) | NPC1MCHR1HRH3 | |
| SCHEMBL11533661 | 0.83 | NPC1 (0.55) | NPC1HRH3 | |
| SCHEMBL2146521 | 0.83 | NPC1 (0.55) | NPC1HRH3 | |
| SCHEMBL2146374 | 0.82 | NPC1 (0.49) | NPC1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL31400357 | 0.82 | NPC1 (0.53) | NPC1HRH3 | |
| SCHEMBL2152868 | 0.82 | NPC1 (0.49) | NPC1KDM4EALDH1A1 |
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-2011088045-A1 | AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE | AMBIT BIOSCIENCES CORPORATION (US) | 2011-07-21 | — | — | WO | disclosed |
| US-4139620-A | HYPOTENSIVE AGENTS | A. H. ROBINS COMPANY, INC. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4096331-A | HYPOTENSIVE | A. H. ROBINS COMPANY, INCORPORATED (US) | 1978-06-20 | — | — | US | disclosed |