Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.49 |
| ▸ | AXL | P30530 | 1/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | METAP2 | P50579 | 2/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL543204 | 0.81 | NOS1 (0.44) | NOS1AXLCCNA2CDK2CCNA1 | |
| SCHEMBL8062076 | 0.81 | CCNA2 (0.43) | NOS1AXLCCNA2CDK2CCNA1 | |
| SCHEMBL21793858 | 0.79 | CCNA2 (0.42) | NOS1AXLCCNA2CDK2CCNA1 | |
| SCHEMBL29705820 | 0.79 | NOS1 (0.49) | NOS1AXLCCNA2CDK2CCNA1 | |
| SCHEMBL5446861 | 0.79 | CCNA2 (0.42) | NOS1AXLCCNA2CDK2CCNA1 | |
| SCHEMBL25286660 | 0.76 | NOS1 (0.44) | NOS1AXLCCNA2CDK2CCNA1 | |
| SCHEMBL23919008 | 0.76 | DHPS (0.42) | AXLCCNA2CDK2CCNA1IDO1 | |
| SCHEMBL27767951 | 0.76 | NOS1 (0.45) | NOS1AXLCCNA2CDK2CCNA1 | |
| SCHEMBL20439372 | 0.74 | NOS1 (0.55) | NOS1AXLCCNA2CDK2CCNA1 | |
| SCHEMBL12321248 | 0.74 | NOS1 (0.56) | NOS1AXLCCNA2CDK2CCNA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2098513-A1 | TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-09-09 | — | — | EP | disclosed |
| WO-2004073612-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-09-02 | — | — | WO | disclosed |