Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19979595 | 0.87 | CYP3A4 (0.47) | CYP3A4LPAR3LPAR2LPAR1AKT1 | |
| SCHEMBL19979608 | 0.79 | LPAR3 (0.46) | CYP3A4LPAR3LPAR2LPAR1S1PR2 | |
| SCHEMBL24113612 | 0.76 | ADH1C (0.48) | ADH1CADH1AADH4KCNH2TSHR | |
| SCHEMBL8590220 | 0.76 | ADH1C (0.48) | ADH1CADH1AADH4KCNH2TSHR | |
| SCHEMBL1461491 | 0.76 | ADH1C (0.48) | ADH1CADH1AADH4KCNH2TSHR | |
| SCHEMBL6759358 | 0.76 | ADH1C (0.48) | ADH1CADH1AADH4KCNH2TSHR | |
| SCHEMBL15505739 | 0.76 | ADH1C (0.48) | ADH1CADH1AADH4KCNH2TSHR | |
| SCHEMBL14778154 | 0.75 | CYP3A4 (0.52) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL19979598 | 0.74 | CYP3A4 (0.44) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL19979590 | 0.74 | CYP3A4 (0.44) | CYP3A4LPAR3LPAR2LPAR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018053407-A1 | NOVEL AMINOBISPHOSPHONATE ANTIWEAR ADDITIVES | AFTON CHEMICAL CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |