Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28706855 | 0.84 | ESR1 (0.41) | ALDH1A1ESR1ESR2CYP3A4MAPK1 | |
| SCHEMBL6745721 | 0.83 | ESR1 (0.43) | ALDH1A1ESR1ESR2CYP3A4MAPK1 | |
| SCHEMBL14999529 | 0.81 | NFE2L2 (0.36) | ALDH1A1ESR1ESR2CYP3A4MAPK1 | |
| Benzene SCHEMBL11667348 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1MAPTGAA | |
| SCHEMBL17508181 | 0.80 | KMT2A (0.46) | ALDH1A1ESR1ESR2CYP3A4MAPK1 | |
| SCHEMBL28138729 | 0.80 | ESR1 (0.41) | ALDH1A1ESR1ESR2CYP3A4MAPK1 | |
| SCHEMBL7524435 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPK1TSHRKDM4EALOX15 | |
| SCHEMBL27805 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1MAPTKMT2A | |
| SCHEMBL29801228 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1MAPTKMT2A | |
| SCHEMBL14959982 | 0.78 | ALDH1A1 (0.31) | ALDH1A1ESR1ESR2CYP3A4NR3C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116253835-A | Method for producing conjugated diene polymer, and conjugated diene polymer, rubber and tire obtained thereby | 台橡股份有限公司 | 2023-06-13 | — | — | CN | disclosed |
| WO-2008123387-A2 | WATER-BASED PAINT COMPOSITIONS AND MULTILAYER COATING FILM FORMING METHOD | KANSAI PAINT CO., LTD. (JP) | 2008-10-16 | — | — | WO | disclosed |