Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5265199 | 0.88 | GAA (0.47) | ALDH1A1LMNASMN1; SMN2L3MBTL1METAP2 | |
| SCHEMBL5267213 | 0.87 | ALDH1A1 (0.45) | ALDH1A1LMNAHTTL3MBTL1METAP2 | |
| SCHEMBL5318573 | 0.87 | SLC40A1 (0.49) | ALDH1A1LMNAHTTSMN1; SMN2METAP2 | |
| SCHEMBL5270408 | 0.86 | LMNA (0.49) | ALDH1A1LMNAHTTSMN1; SMN2NPSR1 | |
| SCHEMBL5269858 | 0.85 | KMT2A (0.45) | ALDH1A1NPC1LMNAHTTRAB9A | |
| SCHEMBL4284633 | 0.85 | KMT2A (0.49) | ALDH1A1LMNAHTTKDM4EMEN1 | |
| SCHEMBL5271482 | 0.84 | MCL1 (0.42) | ALDH1A1SMN1; SMN2METAP2KDM4EKMT2A | |
| SCHEMBL5270409 | 0.83 | MCL1 (0.52) | — | |
| SCHEMBL5271604 | 0.83 | MEN1 (0.55) | ALDH1A1HTTKDM4EMEN1KMT2A | |
| SCHEMBL5271687 | 0.81 | KCNA5 (0.56) | ALDH1A1NPC1LMNARAB9AMEN1 |
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-1847531-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2007-10-24 | — | — | EP | disclosed |