Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.54 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31230433 | 0.84 | UHRF1 (0.50) | UHRF1DHFRMAP4K1CYP3A4TSHR | |
| SCHEMBL21666114 | 0.84 | UHRF1 (0.50) | UHRF1DHFRMAP4K1CYP3A4TSHR | |
| SCHEMBL19171832 | 0.83 | UHRF1 (0.43) | UHRF1DHFRMAP4K1CYP3A4TSHR | |
| SCHEMBL15417759 | 0.80 | NOS3 (0.44) | DHFRMAP4K1NOS3NOS1NOS2 | |
| SCHEMBL12452143 | 0.80 | UHRF1 (0.38) | UHRF1DHFRALDH1A1PIK3CAPI4KA | |
| SCHEMBL30041599 | 0.80 | UHRF1 (0.38) | UHRF1DHFRALDH1A1PIK3CAPI4KA | |
| SCHEMBL16804955 | 0.79 | DHFR (0.38) | UHRF1DHFRMAP4K1CYP3A4ALDH1A1 | |
| SCHEMBL6504147 | 0.77 | UHRF1 (0.47) | UHRF1CYP3A4TSHRMAPK1NOS3 | |
| SCHEMBL8683739 | 0.77 | ALDH1A1 (0.36) | DHFRMAP4K1CYP3A4MAPK1ALDH1A1 | |
| SCHEMBL18956959 | 0.76 | UHRF1 (0.50) | UHRF1CYP3A4TSHRMAPK1NOS3 |
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-1911756-A2 | Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto | Arena Pharmaceuticals, Inc. (US) | 2008-04-16 | — | — | EP | disclosed |