Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 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 | |
|---|---|---|---|---|
| SCHEMBL9243497 | 0.85 | CA2 (0.49) | CA2ALDH1A1STSCA1CA7 | |
| SCHEMBL1050351 | 0.85 | PKM (0.58) | CA2PDIA6ALDH1A1CA1CA7 | |
| SCHEMBL11809330 | 0.83 | ALDH1A1 (0.62) | CA2ALDH1A1CYP2A6FFAR4MAPT | |
| SCHEMBL8103599 | 0.81 | CA2 (0.47) | CA2ALDH1A1STSCA1CA7 | |
| SCHEMBL7944412 | 0.81 | PRKCI (0.51) | CA2ALDH1A1STSCA1CA7 | |
| SCHEMBL22015595 | 0.81 | ALDH1A1 (0.44) | CA2ALDH1A1STSPKMCYP2A6 | |
| SCHEMBL25067050 | 0.81 | PDIA6 (0.44) | CA2PDIA6ALDH1A1CA1CA7 | |
| SCHEMBL22867134 | 0.81 | CA1 (0.53) | CA2PDIA6ALDH1A1STSCA1 | |
| SCHEMBL10177955 | 0.80 | PRSS1 (0.58) | CA2PDIA6ALDH1A1CA1CA7 | |
| SCHEMBL841263 | 0.80 | CA2 (0.52) | CA2STSCA1CA7CA12 |
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-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |