Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL93414 | 1.00 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL661906 | 0.84 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL15544 | 0.84 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL29404189 | 0.84 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL31109186 | 0.84 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL18701450 | 0.84 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL93290 | 0.83 | GABRA1 (0.61) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL1396494 | 0.83 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL29795971 | 0.83 | GABRA1 (0.61) | CYP3A4GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL7723447 | 0.82 | GABRA1 (0.55) | CYP3A4GABRA1GABRB2TSHRALDH1A1 |
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-118894794-A | Method for preparing dichloro methyl phenyl isocyanate by continuous flow photocatalysis | 乐平市赛复乐医药化工有限公司 | 2024-11-05 | — | — | CN | disclosed |
| CN-112020525-B | Adducts of amine catalysts for preparing isocyanurate polymers | 科思创知识产权两合公司 | 2023-05-16 | — | — | CN | disclosed |
| EP-3997149-A1 | POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE | Covestro Intellectual Property GmbH & Co. KG (DE) | 2022-05-18 | — | — | EP | disclosed |