Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4292756 | 0.99 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2LMNACETP | |
| SCHEMBL5265757 | 0.85 | SMN1; SMN2 (0.46) | NPC1RAB9ASMN1; SMN2LMNACETP | |
| SCHEMBL5268520 | 0.84 | ALDH1A1 (0.47) | RAB9ASMN1; SMN2LMNACETPHDAC3 | |
| SCHEMBL5268963 | 0.84 | LMNA (0.46) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL2799869 | 0.83 | HPGD (0.46) | NPC1RAB9ASMN1; SMN2LMNACETP | |
| SCHEMBL5266880 | 0.81 | HPGD (0.59) | SMN1; SMN2CETPHDAC3HDAC1HDAC2 | |
| SCHEMBL13816898 | 0.81 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL5269272 | 0.80 | KDM4E (0.55) | NPC1RAB9ASMN1; SMN2ALDH1A1PKM | |
| SCHEMBL5269911 | 0.80 | KMT2A (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL955574 | 0.79 | CCNA2 (0.62) | NPC1RAB9ASMN1; SMN2LMNAHDAC3 |
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 |