Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7611040 | 1.00 | ESR1 (0.43) | ESR1ESR2NOS3NOS1UGT2B7 | |
| SCHEMBL10515119 | 0.91 | CALM1 (0.52) | UGT2B7LMNA | |
| SCHEMBL8616200 | 0.87 | LOXL2 (0.44) | ESR1ESR2NOS3NOS1KMT2A | |
| SCHEMBL7612546 | 0.85 | ALDH1A1 (0.42) | ESR1ESR2NOS3NOS1UGT2B7 | |
| SCHEMBL9228346 | 0.85 | TYR (0.55) | KMT2AALDH1A1TSHRCYP3A4MAPK1 | |
| SCHEMBL30231388 | 0.84 | LMNA (0.44) | ESR1ESR2NOS3NOS1UGT2B7 | |
| SCHEMBL9331190 | 0.83 | NOS3 (0.54) | ESR1ESR2NOS3NOS1UGT2B7 | |
| SCHEMBL9331652 | 0.83 | NOS3 (0.54) | ESR1ESR2NOS3NOS1UGT2B7 | |
| SCHEMBL40655 | 0.83 | NOS3 (0.54) | ESR1ESR2NOS3NOS1UGT2B7 | |
| SCHEMBL9331061 | 0.83 | NOS3 (0.54) | ESR1ESR2NOS3NOS1UGT2B7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113354820-B | Chiral polysiloxanes, its synthesis and application | 中国科学院大连化学物理研究所 | 2022-08-19 | — | — | CN | disclosed |