Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | C1R | P00736 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL5316643 | 0.81 | ALDH1A1 (0.64) | KEAP1NFE2L2CA2CA1CA9 | |
| SCHEMBL10940469 | 0.76 | KEAP1 (0.60) | KEAP1NFE2L2CA2CA1CA9 | |
| SCHEMBL2371944 | 0.75 | HTR2A (0.57) | KEAP1NFE2L2CA2CA1CA9 | |
| SCHEMBL3703471 | 0.75 | CA1 (0.53) | KEAP1NFE2L2CA2CA1CA9 | |
| SCHEMBL5966695 | 0.74 | HSD11B1 (0.53) | CA2ALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL2371614 | 0.72 | HTR2A (0.51) | KEAP1NFE2L2CA2CA1CA9 | |
| SCHEMBL3250619 | 0.71 | TSHR (0.54) | KEAP1NFE2L2CA2CA1CA9 | |
| SCHEMBL2442411 | 0.71 | CA1 (0.49) | KEAP1NFE2L2CA2CA1CA9 | |
| SCHEMBL18537467 | 0.71 | CA1 (0.57) | KEAP1NFE2L2CA2CA1CA9 | |
| SCHEMBL3248145 | 0.71 | CA1 (0.57) | KEAP1NFE2L2CA2CA1CA9 |
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-2007067817-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2007-06-14 | — | — | WO | claimed |