Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28583292 | 0.86 | CYP3A4 (0.87) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| Toluene SCHEMBL28941697 | 0.85 | CYP3A4 (0.71) | CYP3A4TSHRGABRA1GABRB2LMNA | |
| Naphthalene SCHEMBL28560718 | 0.83 | CYP3A4 (0.74) | CYP3A4GABRA1GABRB2TRPA1CYP1A2 | |
| SCHEMBL10873731 | 0.82 | CYP3A4 (0.67) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| SCHEMBL15092 | 0.80 | CYP3A4 (1.00) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| Toluene SCHEMBL28871050 | 0.79 | CYP3A4 (0.80) | CYP3A4TSHRGABRA1GABRB2LMNA | |
| Diphenylmethane SCHEMBL8396621 | 0.79 | CYP3A4 (0.42) | CYP3A4TSHRCALM1LMNATRPA1 | |
| Methane SCHEMBL17504404 | 0.79 | CYP3A4 (0.39) | CYP3A4TSHRCALM1GABRA1GABRB2 | |
| SCHEMBL27946613 | 0.78 | CYP3A4 (0.95) | CYP3A4TSHRGABRA1GABRB2TRPA1 | |
| Toluene Diisocyanate SCHEMBL3468300 | 0.78 | CYP3A4 (0.67) | CYP3A4TSHRCALM1LMNATRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130030145-A1 | BIOMASS-RESOURCE-DERIVED POLYESTER AND PRODUCTION PROCESS THEREOF | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-01-31 | — | — | US | disclosed |