Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11605539 | 0.85 | THRB (0.35) | ALDH1A1TP53HPGDTSHRMAPK1 | |
| SCHEMBL11606146 | 0.78 | ALDH1A1 (0.33) | ALDH1A1TP53HPGDTSHRMAPK1 | |
| SCHEMBL11605612 | 0.69 | TDP1 (0.36) | TDP1 | |
| SCHEMBL11604813 | 0.67 | CDK2 (0.34) | ALDH1A1TP53HPGDTSHRMAPK1 | |
| SCHEMBL11608385 | 0.66 | — | — | |
| SCHEMBL8792488 | 0.66 | MYC (0.41) | ALDH1A1TP53HPGDTSHRSMN1; SMN2 | |
| SCHEMBL11607344 | 0.66 | ALDH1A1 (0.33) | ALDH1A1TP53HPGDTSHRMAPK1 | |
| SCHEMBL11662796 | 0.65 | ALDH1A1 (0.36) | ALDH1A1TP53HPGDTSHRMAPK1 | |
| SCHEMBL8791105 | 0.64 | MYC (0.39) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL28098483 | 0.64 | ALDH1A1 (0.48) | ALDH1A1TP53HPGDTSHRMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4101546-A | Cyanatothiomethylthio pyrazines | THE DOW CHEMICAL COMPANY (US) | 1978-07-18 | — | — | US | claimed |
| US-4101546-A | Cyanatothiomethylthio pyrazines | THE DOW CHEMICAL COMPANY (US) | 1978-07-18 | — | — | US | disclosed |