Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MYOC | Q99972 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21132495 | 0.79 | HSPB1 (0.53) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL27817163 | 0.79 | TSHR (0.52) | MAPTMEN1KMT2AALDH1A1LMNA | |
| SCHEMBL8433 | 0.74 | HSPB1 (0.52) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL4207572 | 0.73 | IDO1 (0.56) | CA1CA2CA9MAPTNPC1 | |
| SCHEMBL28135398 | 0.72 | HSPB1 (0.50) | HSPB1CA1CA2CA9CES2 | |
| Hydrochloric Acid SCHEMBL27912110 | 0.72 | HSPB1 (0.50) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL9183872 | 0.72 | HSPB1 (0.79) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL11689190 | 0.72 | HSPB1 (0.79) | HSPB1CA1CA2CA9CES2 | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 | 0.72 | HSPB1 (0.79) | HSPB1CA1CA2CA9CES2 | |
| SCHEMBL2011179 | 0.72 | HSPB1 (0.79) | HSPB1CA1CA2CA9CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0687675-A2 | Irreversible HIV protease inhibitors, intermediates, compositions and processes for the preparation thereof | LG Chemical Limited (KR) | 1995-12-20 | — | — | EP | claimed |
| CN-112888498-B | Composition useful for making acid gas separation membranes | 住友化学株式会社 | 2023-07-14 | — | — | CN | disclosed |
| CN-108884050-A | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-102149783-B | Methods and compositions for polishing silicon-containing substrates | CABOT MICROELECTRONICS CORP | 2013-06-12 | — | — | CN | disclosed |
| CN-102149783-A | Methods and compositions for polishing silicon-containing substrates | CABOT MICROELECTRONICS CORP | 2011-08-10 | — | — | CN | disclosed |
| US-5696134-A | Irreversible HIV protease inhibitors, intermediates, compositions and processes for the preparation thereof | LG CHEMICAL LIMITED (KR) | 1997-12-09 | — | — | US | disclosed |
| EP-0687675-A2 | Irreversible HIV protease inhibitors, intermediates, compositions and processes for the preparation thereof | LG Chemical Limited (KR) | 1995-12-20 | — | — | EP | disclosed |