Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | METAP1 | P53582 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTR5A | P47898 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11530207 | 0.77 | ADRA2A (0.41) | ALDH1A1CYP3A4METAP1ADRA2AKDM4E | |
| SCHEMBL2388024 | 0.73 | CYP3A4 (0.35) | ALDH1A1CYP3A4METAP1ADRA2AKDM4E | |
| SCHEMBL3179509 | 0.73 | CYP3A4 (0.37) | ALDH1A1CYP3A4KDM4EHTR5ASMN1; SMN2 | |
| SCHEMBL5763435 | 0.72 | CYP3A4 (0.50) | ALDH1A1CYP3A4METAP1ADRA2AHTR5A | |
| SCHEMBL29959514 | 0.72 | CYP3A4 (0.50) | ALDH1A1CYP3A4METAP1ADRA2AHTR5A | |
| Hydrochloric Acid SCHEMBL2391243 | 0.72 | CYP3A4 (0.34) | ALDH1A1CYP3A4METAP1ADRA2AKDM4E | |
| SCHEMBL24862607 | 0.69 | CYP3A4 (0.34) | ALDH1A1CYP3A4KDM4EHTR5ASMN1; SMN2 | |
| SCHEMBL26780281 | 0.69 | METAP1 (0.36) | ALDH1A1CYP3A4METAP1ADRA2AHTR5A | |
| SCHEMBL213183 | 0.69 | SIGMAR1 (0.47) | ALDH1A1CYP3A4ADRA2AKDM4ETP53 | |
| Hydrochloric Acid SCHEMBL9190644 | 0.68 | SIGMAR1 (0.48) | ALDH1A1CYP3A4ADRA2AKDM4ETP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-8779134-B1 | Six-coordinated ruthenium complex | NATIONAL TSING HUA UNIVERSITY (TW) | 2014-07-15 | — | — | US | disclosed |