Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 3/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | GPR3 | P46089 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28123519 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL598100 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL9299473 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL11515396 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL6066140 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL31490433 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL598910 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL598951 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL598615 | 1.00 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 | |
| SCHEMBL598156 | 0.98 | SIGMAR1 (0.62) | SIGMAR1CYP1A2CYP2A6BCHEHDAC1 |
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-107418542-A | A kind of asphaltene deposits inhibitor combination and preparation method thereof | 中国石油化工股份有限公司 | 2017-12-01 | — | — | CN | claimed |