Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4144518 | 1.00 | CYP2A6 (0.38) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL29638132 | 0.88 | CYP1A2 (0.38) | CYP2A6CYP1A2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL4150686 | 0.88 | CYP1A2 (0.38) | CYP2A6CYP1A2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL420389 | 0.84 | ALDH1A1 (0.48) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL14600050 | 0.78 | ALDH1A1 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL21936342 | 0.76 | TSHR (0.35) | CYP2A6CYP1A2ALDH1A1TSHRTDP1 | |
| SCHEMBL148575 | 0.76 | TSHR (0.35) | CYP2A6CYP1A2ALDH1A1TSHRTDP1 | |
| SCHEMBL23700591 | 0.75 | ALDH1A1 (0.37) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL29638131 | 0.75 | ALDH1A1 (0.37) | CYP2A6CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL3837700 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112996841-B | Crosslinkable organosiloxane compositions | 瓦克化学股份公司 | 2022-12-27 | — | — | CN | disclosed |
| CN-111936582-B | Crosslinkable organosiloxane compositions | 瓦克化学股份公司 | 2022-06-17 | — | — | CN | disclosed |
| CN-111936556-B | Crosslinkable organosiloxane compositions | 瓦克化学股份公司 | 2022-05-03 | — | — | CN | disclosed |