Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NMT1 | P30419 | 1/20 | 0.52 |
| ▸ | PFKFB4 | Q16877 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | APLNR | P35414 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | RRM1 | P23921 | 1/20 | 0.36 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20680929 | 0.82 | NMT1 (0.36) | NMT1CHRM2CHRM1RRM1RRM2B | |
| SCHEMBL14930239 | 0.78 | NMT1 (0.54) | NMT1PFKFB4AKR1B1CA1CA2 | |
| SCHEMBL2371748 | 0.77 | NMT1 (0.56) | NMT1PFKFB4AKR1B1CA1CA2 | |
| SCHEMBL21893271 | 0.76 | PIK3CA (0.37) | NMT1CA2TSHR | |
| SCHEMBL25389850 | 0.76 | SLC22A12 (0.35) | NMT1ALPLKMT2A | |
| SCHEMBL31347243 | 0.75 | IDO1 (0.40) | PPARGCYP3A4CYP2C9TSHRJAK1 | |
| SCHEMBL30562770 | 0.74 | EDNRB (0.50) | KMT2A | |
| SCHEMBL25387423 | 0.74 | EDNRB (0.50) | KMT2A | |
| SCHEMBL2371744 | 0.74 | NMT1 (0.52) | NMT1PFKFB4AKR1B1CA1CA2 | |
| SCHEMBL22012124 | 0.74 | BRD4 (0.37) | CHRM2CHRM1RRM1RRM2BALPL |
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-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |