Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.41 |
| ▸ | INSR | P06213 | 3/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5230509 | 0.95 | POLB (0.41) | ALDH1A1HSD17B10TP53SMN1; SMN2PKM | |
| SCHEMBL5226166 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TP53SMN1; SMN2PKM | |
| SCHEMBL5226838 | 0.89 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TP53SMN1; SMN2PKM | |
| SCHEMBL5229195 | 0.88 | POLB (0.40) | ALDH1A1HSD17B10TP53SMN1; SMN2PKM | |
| SCHEMBL5229335 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TP53SMN1; SMN2PKM | |
| SCHEMBL5226663 | 0.87 | KMT2A (0.44) | ALDH1A1HSD17B10TP53SMN1; SMN2PKM | |
| SCHEMBL2761009 | 0.85 | SMO (0.43) | ALDH1A1TP53SMN1; SMN2L3MBTL1LMNA | |
| SCHEMBL5224673 | 0.85 | SMO (0.40) | ALDH1A1KDM4ELMNA | |
| SCHEMBL5227547 | 0.84 | PDCD1 (0.43) | ALDH1A1HSD17B10TP53SMN1; SMN2PKM | |
| SCHEMBL5226446 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TP53SMN1; SMN2PKM |
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 |