Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL22973769 | 0.95 | TSHR (0.50) | CYP3A4TSHRLMNAALOX12ACHE | |
| SCHEMBL11151377 | 0.93 | CYP3A4 (0.48) | CYP3A4TSHRLMNAALOX12ACHE | |
| Toluene SCHEMBL2054280 | 0.90 | TSHR (0.44) | CYP3A4TSHRLMNAALOX12ACHE | |
| SCHEMBL93286 | 0.88 | CYP3A4 (0.56) | CYP3A4TSHRLMNAACHETRPA1 | |
| Toluene SCHEMBL28374870 | 0.87 | CNR2 (0.41) | CYP3A4TSHRLMNAALOX12ACHE | |
| Toluene SCHEMBL3417699 | 0.86 | MIF (0.47) | CYP3A4TSHRLMNAALOX12ACHE | |
| Hydrogen Sulfide SCHEMBL27351182 | 0.86 | CYP3A4 (0.54) | CYP3A4TSHRLMNAACHETRPA1 | |
| Toluene SCHEMBL10829701 | 0.85 | CYP3A4 (0.41) | CYP3A4TSHRLMNAALOX12ACHE | |
| O-Xylene SCHEMBL29019868 | 0.84 | CYP3A4 (0.55) | CYP3A4TSHRACHETRPA1TDP1 | |
| Toluene SCHEMBL29263225 | 0.84 | CYP3A4 (0.43) | CYP3A4TSHRLMNAALOX12ACHE |
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-114057979-A | Cyclodextrin porous polymer and mechanochemical preparation method and application thereof | 江西师范大学 | 2022-02-18 | — | — | CN | disclosed |