Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5926684 | 0.79 | ITGB1 (0.47) | — | |
| SCHEMBL4081027 | 0.78 | LPAR1 (0.53) | CYP3A4MGLLNPC1RAB9ATMEM97 | |
| SCHEMBL5926685 | 0.78 | CTSA (0.44) | — | |
| SCHEMBL11298324 | 0.71 | CYP3A4 (0.43) | CYP3A4TMEM97SIGMAR1PDK1TSHR | |
| SCHEMBL11328174 | 0.69 | CYP3A4 (0.43) | CYP3A4TMEM97SIGMAR1TSHR | |
| SCHEMBL14289967 | 0.69 | ADRA1D (0.52) | ADRA1DSCN5ASCN2ACA12CA1 | |
| SCHEMBL11320579 | 0.68 | CYP3A4 (0.43) | CYP3A4TMEM97SIGMAR1PDK1 | |
| SCHEMBL11674451 | 0.68 | SMN1; SMN2 (0.55) | CYP3A4NPC1RAB9ATSHR | |
| SCHEMBL3455287 | 0.68 | HSP90AA1 (0.66) | CYP3A4NPC1RAB9ATMEM97SIGMAR1 | |
| SCHEMBL325007 | 0.67 | SMN1; SMN2 (0.65) | NPC1RAB9ATSHR |
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-2004014844-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TRANSTECH PHARMA, INC. (US) | 2004-02-19 | — | — | WO | disclosed |