Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29233146 | 1.00 | TSHR (0.46) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL29233061 | 0.99 | TSHR (0.47) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL21019104 | 0.88 | TSHR (0.51) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL27774624 | 0.83 | TSHR (0.34) | TSHRALDH1A1CYP3A4HPGD | |
| SCHEMBL28055435 | 0.83 | TSHR (0.34) | TSHRALDH1A1CYP3A4HPGD | |
| SCHEMBL27774626 | 0.83 | TSHR (0.34) | TSHRALDH1A1CYP3A4HPGD | |
| SCHEMBL28055449 | 0.83 | TSHR (0.34) | TSHRALDH1A1CYP3A4HPGD | |
| SCHEMBL27812861 | 0.82 | TSHR (0.38) | TSHRALDH1A1CYP3A4HPGDTP53 | |
| SCHEMBL25420322 | 0.81 | TSHR (0.35) | TSHRALDH1A1CYP3A4HPGD | |
| SCHEMBL27646428 | 0.81 | TSHR (0.61) | TSHRALDH1A1CYP3A4HPGDTP53 |
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-118215651-A | Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition | 旭化成株式会社 | 2024-06-18 | — | — | CN | disclosed |