Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MLYCD | O95822 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
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 | 0.94 | ALDH1A1 (0.54) | ALDH1A1HPGDLMNAMAPK8NPSR1 | |
| SCHEMBL5270730 | 0.90 | HPGD (0.69) | ALDH1A1HPGDLMNANPSR1TSHR | |
| SCHEMBL5270448 | 0.87 | HPGD (0.62) | ALDH1A1HPGDLMNANPSR1TSHR | |
| SCHEMBL5269230 | 0.87 | MLYCD (0.56) | ALDH1A1HPGDLMNANPSR1TSHR | |
| SCHEMBL5269714 | 0.85 | ROCK2 (0.54) | HPGDNPC1RAB9AMAPK1 | |
| SCHEMBL5269458 | 0.84 | RAB9A (0.56) | ALDH1A1HPGDLMNANPSR1TSHR | |
| SCHEMBL5272599 | 0.83 | TSHR (0.51) | ALDH1A1HPGDLMNAMAPK8NPSR1 | |
| SCHEMBL5266740 | 0.82 | TDP1 (0.49) | ALDH1A1HPGDLMNAMAPK8TSHR | |
| SCHEMBL4284612 | 0.82 | ALDH1A1 (0.51) | ALDH1A1HPGDLMNAMAPK8NPSR1 | |
| SCHEMBL5267173 | 0.81 | HPGD (0.49) | ALDH1A1HPGDNPSR1TSHRHSD17B10 |
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 |