Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2678063 | 0.68 | DPP4 (0.38) | AOC3KDM4EALDH1A1LMNAHPGD | |
| Hydrochloric Acid SCHEMBL23114008 | 0.67 | DPP4 (0.37) | — | |
| SCHEMBL3873906 | 0.65 | CNR2 (0.39) | CNR2CNR1AOC3HDAC6 | |
| Trifluoroacetic Acid SCHEMBL29279144 | 0.64 | DPP4 (0.36) | — | |
| SCHEMBL3467030 | 0.61 | NPC1 (0.43) | KDM4EALDH1A1LMNATSHRHSD17B10 | |
| SCHEMBL3873902 | 0.61 | HDAC4 (0.41) | CNR2HDAC1HDAC8HDAC6 | |
| Potassium Ion SCHEMBL20532715 | 0.60 | DPP4 (0.37) | — | |
| SCHEMBL15472482 | 0.60 | IKBKB (0.40) | KDM4EALDH1A1LMNAHSD17B10 | |
| SCHEMBL8965367 | 0.60 | DPP4 (0.39) | KDM4EALDH1A1LMNAHPGDTSHR | |
| SCHEMBL19449365 | 0.60 | DPP4 (0.39) | KDM4EALDH1A1LMNAHPGDTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501514-A4 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1501514-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093297-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2003-11-13 | — | — | WO | disclosed |