Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | REN | P00797 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3125812 | 0.90 | NPC1 (0.52) | NPC1RAB9AALOX5LMNATSHR | |
| SCHEMBL6314236 | 0.84 | LMNA (0.49) | NPC1RAB9AALOX5LMNATSHR | |
| SCHEMBL6314244 | 0.81 | LMNA (0.49) | NPC1RAB9AALOX5LMNATSHR | |
| SCHEMBL19567152 | 0.80 | CTSL (0.49) | NPC1RAB9ALMNATSHRESR1 | |
| SCHEMBL7301929 | 0.80 | LMNA (0.55) | NPC1RAB9ALMNATSHRMAPK1 | |
| SCHEMBL18666669 | 0.78 | ACE (0.42) | LMNATSHRALOX15ACE | |
| SCHEMBL3750325 | 0.77 | POLB (0.59) | NPC1RAB9AALOX5LMNATSHR | |
| SCHEMBL3130089 | 0.77 | NPC1 (0.53) | NPC1RAB9AALOX5LMNATSHR | |
| SCHEMBL11271784 | 0.76 | HDAC1 (0.43) | NPC1RAB9AALOX5LMNATSHR | |
| SCHEMBL8465299 | 0.76 | MAPK1 (0.54) | NPC1ALOX5LMNATSHRALOX15 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4339600-A | ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1982-07-13 | — | — | US | disclosed |
| US-4199512-A | Compounds for alleviating hypertension | E. R. SQUIBB & SONS, INC. (US) | 1980-04-22 | — | — | US | disclosed |
| US-4173704-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-11-06 | — | — | US | disclosed |
| US-4140786-A | ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1979-02-20 | — | — | US | disclosed |
| US-4140797-A | MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1979-02-20 | — | — | US | disclosed |
| US-4112119-A | MERCAPTOACYL AMINOACIDS | E. R. SQUIBB & SONS, INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4053651-A | MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1977-10-11 | — | — | US | disclosed |