Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13641355 | 0.86 | NPC1 (0.58) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL10591092 | 0.83 | NPC1 (0.55) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL14868311 | 0.80 | NPC1 (0.51) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL11833347 | 0.80 | RIPK1 (0.52) | NPC1ALDH1A1TSHRHDAC1AOC3 | |
| Hydrochloric Acid SCHEMBL1937211 | 0.79 | NPC1 (0.50) | NPC1RAB9ACA12CA9MGLL | |
| Hydrochloric Acid SCHEMBL28482365 | 0.79 | NPC1 (0.50) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL4827830 | 0.78 | ALOX5 (0.43) | NPC1RAB9AMGLLALDH1A1TSHR | |
| SCHEMBL11835115 | 0.78 | LMNA (0.56) | NPC1MGLLALDH1A1TSHRHDAC1 | |
| SCHEMBL10282498 | 0.78 | NPC1 (0.57) | NPC1RAB9ACA12CA9MGLL | |
| SCHEMBL10383503 | 0.76 | NPC1 (0.51) | NPC1RAB9ACA12CA9MGLL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3954995-A | Mono-and disubstituted hydroxyguanidines in the treatment of depression | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-04 | — | — | US | claimed |
| EP-0177965-B1 | NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1990-03-21 | — | — | EP | disclosed |
| US-4705786-A | Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1987-11-10 | — | — | US | disclosed |
| EP-0177965-A2 | Novel oxa- and thiadiazolyl derivatives and their use | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1986-04-16 | — | — | EP | disclosed |
| US-3954995-A | Mono-and disubstituted hydroxyguanidines in the treatment of depression | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-04 | — | — | US | disclosed |