Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.50 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5952871 | 0.85 | PCSK9 (0.63) | PCSK9TP53TDP1DNM1MEN1 | |
| SCHEMBL29022390 | 0.83 | PCSK9 (0.55) | PCSK9TP53TDP1DNM1MEN1 | |
| SCHEMBL333263 | 0.78 | PCSK9 (0.43) | PCSK9ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL21373150 | 0.75 | PCSK9 (0.47) | PCSK9ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL12270628 | 0.75 | PCSK9 (0.76) | PCSK9ORAI1ORAI2ORAI3TRPV6 | |
| Magnesium SCHEMBL10419400 | 0.72 | PCSK9 (0.49) | PCSK9L3MBTL1 | |
| SCHEMBL6663731 | 0.70 | PCSK9 (0.63) | PCSK9TP53TDP1DNM1MEN1 | |
| SCHEMBL5710442 | 0.69 | PCSK9 (0.55) | PCSK9TP53TDP1DNM1MEN1 | |
| SCHEMBL23367835 | 0.67 | PCSK9 (0.53) | PCSK9TP53DNM1CYP3A4MEN1 | |
| Phenyl Butyl Borinic Acid SCHEMBL12270701 | 0.67 | PCSK9 (1.00) | PCSK9ORAI1ORAI2ORAI3TRPV6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5741934-A | REACTING HYDROGEN SULFIDE WITH AN ALPHA-OLEFIN IN PRESENCE OF A BORAN COMPOUND | ATOFINA CHEMICALS, INC., A CORP. OF PENNSYLVANIA | 1998-04-21 | — | — | US | disclosed |
| EP-0801056-A2 | Preparation of primary mercaptans | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1997-10-15 | — | — | EP | disclosed |