Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.46 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2642916 | 0.93 | DPP4 (0.50) | DPP4DPP7CA1CA2CA12 | |
| Trifluoroacetic Acid SCHEMBL27739872 | 0.93 | DPP4 (0.50) | DPP4DPP7CA1CA2CA12 | |
| Trifluoroacetic Acid SCHEMBL2643044 | 0.93 | DPP4 (0.50) | DPP4DPP7CA1CA2CA12 | |
| SCHEMBL2644053 | 0.87 | CA1 (0.56) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2662452 | 0.84 | LMNA (0.57) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2642883 | 0.84 | LMNA (0.57) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2662391 | 0.84 | LMNA (0.57) | CA1CA2CA12ESR1CA7 | |
| SCHEMBL2662885 | 0.83 | CA1 (0.49) | DPP4DPP7CA1CA2CA12 | |
| SCHEMBL2662884 | 0.83 | CA1 (0.49) | DPP4DPP7CA1CA2CA12 | |
| Hydrochloric Acid SCHEMBL2642734 | 0.83 | LMNA (0.56) | CA1CA2CA12ESR1CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1756064-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2008-05-14 | — | — | EP | disclosed |