Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | GAA | P10253 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL396816 | 1.00 | CASP1 (0.50) | CASP1MAPTALDH1A1GAAKDM4E | |
| SCHEMBL29414153 | 1.00 | CASP1 (0.50) | CASP1MAPTALDH1A1GAAKDM4E | |
| SCHEMBL395438 | 0.84 | PRKCI (0.47) | CASP1MAPTALDH1A1GAAKDM4E | |
| SCHEMBL29738343 | 0.84 | PRKCI (0.47) | CASP1MAPTALDH1A1GAAKDM4E | |
| SCHEMBL398586 | 0.83 | GAA (0.46) | CASP1MAPTALDH1A1GAAKDM4E | |
| SCHEMBL94119 | 0.82 | ALDH1A1 (0.50) | CASP1MAPTALDH1A1GAAKDM4E | |
| SCHEMBL27770925 | 0.82 | CASP1 (0.42) | CASP1MAPTALDH1A1GAAKDM4E | |
| SCHEMBL30227490 | 0.82 | ALDH1A1 (0.50) | CASP1MAPTALDH1A1GAAKDM4E | |
| Hydrochloric Acid SCHEMBL8667386 | 0.81 | GAA (0.48) | CASP1MAPTALDH1A1GAAKDM4E | |
| SCHEMBL10890416 | 0.81 | CASP1 (0.46) | CASP1MAPTALDH1A1GAAKDM4E |
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 |