Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.56 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.48 |
| ▸ | CDC7 | O00311 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.46 |
| ▸ | WNT1 | P04628 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11910216 | 0.87 | KDM4E (0.52) | GRM5MAP4K4TGFBR1KDM4ELMNA | |
| SCHEMBL3233604 | 0.85 | GRM5 (0.62) | GRM5DCTPP1CDC7ROCK2MAP4K4 | |
| SCHEMBL29883580 | 0.85 | GRM5 (0.62) | GRM5DCTPP1CDC7ROCK2MAP4K4 | |
| SCHEMBL29603448 | 0.85 | GRM5 (0.52) | GRM5DCTPP1CDC7ROCK2MAP4K4 | |
| SCHEMBL4026544 | 0.84 | GRM5 (0.60) | GRM5DCTPP1CDC7ROCK2MAP4K4 | |
| SCHEMBL2480128 | 0.82 | GRM5 (0.59) | GRM5DCTPP1CDC7ROCK2MAP4K4 | |
| SCHEMBL29398603 | 0.82 | GRM5 (0.59) | GRM5DCTPP1CDC7ROCK2MAP4K4 | |
| SCHEMBL27998333 | 0.82 | GRM5 (0.50) | GRM5TGFBR1KDM4ELMNACCR1 | |
| SCHEMBL3767444 | 0.81 | GRM5 (0.57) | GRM5DCTPP1CDC7ROCK2MAP4K4 | |
| SCHEMBL31039970 | 0.80 | TGFBR1 (0.59) | GRM5DCTPP1TGFBR1CASP6KDM4E |
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-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |