Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | GSDMD | P57764 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 6/20 | 0.50 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | CA9 | Q16790 | 6/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5489728 | 1.00 | ALDH1A1 (0.54) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| SCHEMBL26660031 | 1.00 | ALDH1A1 (0.54) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| SCHEMBL244470 | 0.97 | ALDH1A1 (0.56) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| SCHEMBL28947901 | 0.97 | ALDH1A1 (0.56) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| Ammonia Solution, Strong SCHEMBL16207537 | 0.95 | ALDH1A1 (0.54) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| SCHEMBL2324997 | 0.95 | ALDH1A1 (0.54) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| SCHEMBL6008279 | 0.95 | ALDH1A1 (0.54) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| SCHEMBL20787858 | 0.95 | ALDH1A1 (0.54) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| SCHEMBL11112773 | 0.95 | ALDH1A1 (0.54) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 | |
| SCHEMBL30904713 | 0.95 | ALDH1A1 (0.54) | ALDH1A1ALDH2ABCB11CYP2E1PTGS1 |
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-2021161838-A1 | DIARYLAMINE COMPOUND, SURFACE-TREATED FILLER, AND POLYMER COMPOSITION | 日本ゼオン株式会社 | 2021-08-19 | — | — | WO | disclosed |