Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 4/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL697736 | 1.00 | KDM4E (0.39) | KDM4ETSHRHDAC1HDAC8PDPK1 | |
| SCHEMBL749410 | 0.79 | HDAC1 (0.35) | HDAC1HDAC8PDPK1DPP4 | |
| SCHEMBL749409 | 0.79 | HDAC1 (0.35) | HDAC1HDAC8PDPK1DPP4 | |
| SCHEMBL30136575 | 0.79 | HDAC1 (0.35) | HDAC1HDAC8PDPK1DPP4 | |
| SCHEMBL749408 | 0.79 | HDAC1 (0.35) | HDAC1HDAC8PDPK1DPP4 | |
| SCHEMBL7007857 | 0.75 | HDAC1 (0.39) | KDM4EHDAC1HDAC8DPP4MMP2 | |
| SCHEMBL30529258 | 0.75 | HDAC1 (0.39) | KDM4EHDAC1HDAC8DPP4MMP2 | |
| SCHEMBL742802 | 0.75 | HDAC1 (0.35) | HDAC1HDAC8PDPK1DPP4 | |
| SCHEMBL332576 | 0.74 | CXCL8 (0.43) | TSHRHDAC1HDAC8DPP4MMP2 | |
| SCHEMBL29362137 | 0.74 | CXCL8 (0.43) | TSHRHDAC1HDAC8DPP4MMP2 |
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-2423178-A1 | Process for the production of sitagliptin | Chemo Ibérica, S.A. (ES) | 2012-02-29 | — | — | EP | disclosed |