Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL9701371 | 1.00 | CYP3A4 (0.39) | CYP3A4TDP1HIF1ATAAR1SLC6A2 | |
| SCHEMBL14067502 | 0.97 | CYP3A4 (0.41) | CYP3A4TDP1HIF1ATAAR1SLC6A2 | |
| SCHEMBL9308091 | 0.97 | CYP3A4 (0.41) | CYP3A4TDP1HIF1ATAAR1SLC6A2 | |
| SCHEMBL9309105 | 0.97 | CYP3A4 (0.41) | CYP3A4TDP1HIF1ATAAR1SLC6A2 | |
| SCHEMBL19009994 | 0.89 | SMN1; SMN2 (0.38) | CYP3A4TDP1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL6569762 | 0.89 | SMN1; SMN2 (0.38) | CYP3A4TDP1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL22906213 | 0.87 | TRPA1 (0.44) | CYP3A4TDP1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL31589 | 0.85 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL28532 | 0.85 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2SLC6A4 | |
| SCHEMBL10324073 | 0.85 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5118825-A | Ruthenium phosphine complex | ETHYL CORPORATION (US) | 1992-06-02 | — | — | US | claimed |
| US-5107053-A | Ruthenium phosphine complex | ETHYL CORPORATION (US) | 1992-04-21 | — | — | US | claimed |
| US-5118825-A | Ruthenium phosphine complex | ETHYL CORPORATION (US) | 1992-06-02 | — | — | US | disclosed |
| US-5107053-A | Ruthenium phosphine complex | ETHYL CORPORATION (US) | 1992-04-21 | — | — | US | disclosed |