Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
| ▸ | CDC25C | P30307 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL16462146 | 0.87 | BRD4 (0.36) | ALDH1A1ATM | |
| SCHEMBL16464134 | 0.85 | L3MBTL1 (0.40) | ALDH1A1TNKSTNKS2 | |
| SCHEMBL16464113 | 0.82 | NR1I2 (0.43) | MAPK14ALDH1A1ATMGRM2 | |
| SCHEMBL16460867 | 0.82 | ATM (0.40) | MAPK14ATM | |
| SCHEMBL16461217 | 0.81 | POLB (0.40) | ALDH1A1ATMTNKS2 | |
| SCHEMBL16461892 | 0.79 | MAPT (0.42) | ALDH1A1 | |
| SCHEMBL339069 | 0.79 | KDM4E (0.44) | ALDH1A1PTGS2PTGS1 | |
| SCHEMBL16463954 | 0.77 | KDM4E (0.58) | ALDH1A1PTGS2TNKSPARP1TNKS2 | |
| SCHEMBL16462273 | 0.74 | MAPK14 (0.37) | MAPK14 | |
| SCHEMBL16463034 | 0.74 | ADRA2C (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8629162-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-14 | — | — | US | disclosed |