Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23471010 | 0.87 | HTT (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23471200 | 0.86 | PRSS1 (0.44) | NPC1PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL21015349 | 0.84 | PRSS1 (0.39) | SMN1; SMN2GAAKDM4EPRSS1CTSG | |
| SCHEMBL3327442 | 0.81 | CYP2C19 (0.70) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL7234951 | 0.81 | CYP2C19 (0.70) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL5481873 | 0.80 | CYP2C9 (0.57) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL14038093 | 0.80 | CYP2C9 (0.50) | CYP2C9CYP2C19CA12CA1CA2 | |
| SCHEMBL23471122 | 0.80 | HTT (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22660964 | 0.79 | CYP2C19 (0.68) | CYP2C9CYP2C19CA12CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL28298874 | 0.79 | CYP2C19 (0.68) | CYP2C9CYP2C19CA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |