Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 4/20 | 0.35 |
| ▸ | NOS1 | P29475 | 4/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL27282865 | 0.93 | CYP3A4 (0.50) | CYP3A4TSHRGABRA1GABRB2MIF | |
| Butane SCHEMBL27642284 | 0.93 | CYP3A4 (0.50) | CYP3A4TSHRGABRA1GABRB2MIF | |
| Ethane SCHEMBL6323027 | 0.90 | CYP3A4 (0.50) | CYP3A4TSHRGABRA1GABRB2MIF | |
| SCHEMBL1332539 | 0.90 | — | — | |
| Benzene SCHEMBL11510532 | 0.90 | MIF (0.55) | CYP3A4TSHRGABRA1GABRB2MIF | |
| SCHEMBL5925 | 0.90 | — | — | |
| SCHEMBL19459346 | 0.90 | MIF (0.55) | CYP3A4TSHRGABRA1GABRB2MIF | |
| SCHEMBL245090 | 0.90 | MIF (0.55) | CYP3A4TSHRGABRA1GABRB2MIF | |
| Iodomethane SCHEMBL8004247 | 0.88 | CYP3A4 (0.48) | CYP3A4TSHRGABRA1GABRB2MIF | |
| Chloromethane SCHEMBL27805565 | 0.88 | CYP3A4 (0.48) | CYP3A4TSHRGABRA1GABRB2MIF |
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-114907390-A | Organic boron-metal crown ether heteronuclear catalyst and preparation method and application thereof | 浙江大学 | 2022-08-16 | — | — | CN | disclosed |