Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | LPL | P06858 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | PCSK9 | Q8NBP7 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
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 SCHEMBL27472683 | 0.81 | ACHE (0.65) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL28556683 | 0.81 | ACHE (0.73) | TSHRLMNAALOX12ACHECA1 | |
| Toluene SCHEMBL3889999 | 0.81 | ACHE (0.73) | TSHRLMNAALOX12ACHECA1 | |
| Toluene SCHEMBL527814 | 0.78 | ACHE (0.69) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL392682 | 0.78 | ACHE (0.69) | TSHRLMNAALOX12ACHECES2 | |
| Toluene SCHEMBL27883778 | 0.78 | ACHE (0.92) | TSHRLMNAALOX12ACHECA1 | |
| Toluene SCHEMBL10824548 | 0.78 | — | — | |
| Toluene SCHEMBL9622812 | 0.78 | — | — | |
| Benzene SCHEMBL28180746 | 0.78 | CA1 (0.35) | TSHRCA1ORAI1ORAI2ORAI3 | |
| Toluene SCHEMBL9711191 | 0.76 | ACHE (0.65) | TSHRLMNAALOX12ACHECES2 |
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-109153649-A | The allosteric modulators of nicotinic acetylcholine receptor | 默沙东公司 | 2019-01-04 | — | — | CN | disclosed |