Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 8/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
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 SCHEMBL1057886 | 0.88 | ACHE (0.55) | ACHECA12CA1CA2GLA | |
| Phenol SCHEMBL28077743 | 0.88 | ACHE (0.55) | ACHECA12CA1CA2GLA | |
| Toluene SCHEMBL27747263 | 0.88 | ACHE (0.65) | ACHETDP1LMNATSHRALOX12 | |
| Toluene SCHEMBL21647131 | 0.88 | ACHE (0.65) | ACHECA12CA1CA2GLA | |
| Toluene SCHEMBL27275147 | 0.85 | ACHE (0.69) | ACHECA12CA1CA2GLA | |
| Phenol SCHEMBL1122819 | 0.85 | CA12 (0.69) | CA12CA1CA2GLACA3 | |
| Toluene SCHEMBL8072659 | 0.85 | ACHE (0.69) | ACHECA12CA1CA2GLA | |
| Toluene SCHEMBL5712879 | 0.85 | ACHE (0.69) | ACHECA12CA1CA2GLA | |
| Toluene SCHEMBL27258724 | 0.85 | ACHE (0.69) | ACHECA12CA1CA2CA9 | |
| Toluene SCHEMBL19138005 | 0.83 | ACHE (0.65) | ACHECA12CA1CA2GLA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105777591-B | A kind of curcumin derivate and its preparation and the application in benzenethiol is detected | 山西大学 | 2017-06-23 | — | — | CN | claimed |
| CN-105777591-A | Curcumin derivative and application thereof in preparation and detection of thiophenol | 山西大学 | 2016-07-20 | — | — | CN | claimed |