Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL5269122 | 0.85 | ALDH1A1 (0.54) | ALDH1A1KMT2AMAPK8HPGDLMNA | |
| SCHEMBL5274499 | 0.85 | KMT2A (0.46) | ALDH1A1KMT2ASMN1; SMN2HTTKDM4E | |
| SCHEMBL5266740 | 0.82 | TDP1 (0.49) | ALDH1A1MAPK8HPGDLMNATP53 | |
| SCHEMBL5267614 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KMT2AMAPK8HPGDLMNA | |
| SCHEMBL5267455 | 0.81 | SMN1; SMN2 (0.63) | ALDH1A1KMT2AMAPK8HPGDLMNA | |
| SCHEMBL5265275 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MAPK8HPGDLMNATP53 | |
| SCHEMBL4284612 | 0.80 | ALDH1A1 (0.51) | ALDH1A1KMT2AMAPK8HPGDLMNA | |
| SCHEMBL13816897 | 0.80 | TDP1 (0.51) | ALDH1A1KMT2AMAPK8HPGDLMNA | |
| SCHEMBL5270819 | 0.80 | ALDH1A1 (0.61) | ALDH1A1KMT2AMAPK8HPGDLMNA | |
| SCHEMBL5270730 | 0.80 | HPGD (0.69) | ALDH1A1HPGDLMNATP53SMN1; SMN2 |
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 |