Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5223624 | 0.83 | SMO (0.41) | PIK3CDGPR55LMNACYP1A2CYP2C19 | |
| SCHEMBL5224153 | 0.81 | BRD4 (0.44) | PIK3CDGPR55LMNACYP1A2CYP2C19 | |
| SCHEMBL5228017 | 0.80 | SMO (0.39) | PIK3CDGPR55LMNACYP1A2ALDH1A1 | |
| SCHEMBL5225729 | 0.78 | F10 (0.38) | PIK3CD | |
| SCHEMBL5224670 | 0.77 | NR3C1 (0.35) | LMNACYP1A2ALDH1A1PTGS2NR3C1 | |
| SCHEMBL5222796 | 0.76 | NR3C1 (0.35) | LMNACYP1A2ALDH1A1PTGS2CYP3A4 | |
| SCHEMBL16404607 | 0.68 | BRD4 (0.66) | PIK3CDGPR55LMNACYP1A2CYP2C19 | |
| SCHEMBL5227271 | 0.67 | DHODH (0.39) | LMNAUSP2ALDH1A1MEN1ALOX15 | |
| SCHEMBL5227418 | 0.67 | PTGS1 (0.38) | LMNACYP2C19ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL2001301 | 0.67 | P2RX7 (0.42) | LMNACYP1A2CYP2C19ALDH1A1TP53 |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |