Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL9015827 | 0.88 | CYP3A4 (0.50) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL6419308 | 0.83 | CYP3A4 (0.61) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL6419136 | 0.83 | CYP3A4 (0.70) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL10649255 | 0.82 | CYP3A4 (0.56) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL10652352 | 0.79 | CYP3A4 (0.63) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL23825209 | 0.77 | CYP3A4 (0.69) | CYP3A4TRPA1TSHRCYP1A2KDM4E | |
| SCHEMBL30218370 | 0.77 | CYP3A4 (0.69) | CYP3A4TRPA1TSHRCYP1A2KDM4E | |
| Toluene Diisocyanate SCHEMBL4919023 | 0.77 | CYP3A4 (0.63) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL23522251 | 0.76 | CYP3A4 (0.70) | CYP3A4TRPA1GABRA1GABRB2TSHR | |
| SCHEMBL16322754 | 0.76 | CYP3A4 (0.55) | CYP3A4TRPA1GABRA1GABRB2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6924385-B2 | Method for synthesis of aliphatic isocyanates from aromatic isocyanates | DEGUSSA AG (DE) | 2005-08-02 | — | — | US | claimed |
| US-6924385-B2 | Method for synthesis of aliphatic isocyanates from aromatic isocyanates | DEGUSSA AG (DE) | 2005-08-02 | — | — | US | disclosed |