Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8001576 | 0.80 | GRIN2D (0.46) | HPRT1LMNAKDM4EHPGDALDH1A1 | |
| SCHEMBL10337978 | 0.74 | ALDH1A1 (0.49) | HPRT1KDM4EHPGDALDH1A1TDP1 | |
| SCHEMBL30204899 | 0.73 | LMNA (0.50) | LMNAHPGDALDH1A1TDP1POLB | |
| SCHEMBL9829866 | 0.73 | LMNA (0.50) | LMNAHPGDALDH1A1TDP1POLB | |
| SCHEMBL8197182 | 0.72 | PTGDR2 (0.41) | HPRT1LMNAKDM4EL3MBTL1HPGD | |
| SCHEMBL29192937 | 0.72 | HTT (0.42) | HPRT1LMNAKDM4EHPGDALDH1A1 | |
| SCHEMBL29193181 | 0.71 | XDH (0.40) | HPRT1KDM4EHPGDALDH1A1TDP1 | |
| SCHEMBL3577756 | 0.71 | AR (0.43) | — | |
| SCHEMBL29236231 | 0.71 | ALDH1A1 (0.59) | HPRT1LMNAALDH1A1TDP1POLB | |
| SCHEMBL11292185 | 0.71 | ALDH1A1 (0.57) | LMNAKDM4EALDH1A1TDP1MAPT |
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-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |