Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4742939 | 0.79 | SKP2 (0.48) | SKP2TSHRHTTALDH1A1PARP1 | |
| SCHEMBL398357 | 0.77 | CASP1 (0.48) | TSHRCASP1HTTKDM4EMEN1 | |
| SCHEMBL11340841 | 0.74 | SKP2 (0.43) | SKP2TSHRSRCHTTTP53 | |
| SCHEMBL5812363 | 0.73 | KCNH2 (0.47) | SKP2TSHRPARP1CYP1A2CYP2C9 | |
| SCHEMBL8106279 | 0.72 | SKP2 (0.39) | SKP2TSHRSRCHTTKDM4E | |
| SCHEMBL10492522 | 0.71 | KCNH2 (0.50) | SKP2TSHRKDM4EALDH1A1TP53 | |
| SCHEMBL27755339 | 0.71 | KCNH2 (0.50) | SKP2TSHRKDM4EALDH1A1TP53 | |
| SCHEMBL3397890 | 0.71 | KCNH2 (0.50) | SKP2TSHRKDM4EALDH1A1TP53 | |
| SCHEMBL28855680 | 0.70 | SMN1; SMN2 (0.39) | SKP2TSHRKDM4EALDH1A1CYP1A2 | |
| SCHEMBL4252594 | 0.70 | SKP2 (0.48) | SKP2TSHRHTTPARP1CYP1A2 |
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-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |