Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824446 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TDP1L3MBTL1ALOX15GAA | |
| SCHEMBL9824119 | 0.91 | GAA (0.40) | ALDH1A1TDP1ALOX15GAAPOLB | |
| SCHEMBL9824127 | 0.91 | GAA (0.40) | ALDH1A1TDP1ALOX15GAAPOLB | |
| SCHEMBL9372164 | 0.90 | CYP1A2 (0.32) | ALDH1A1TDP1ALOX15GAACYP1A2 | |
| SCHEMBL9372159 | 0.90 | CYP1A2 (0.32) | ALDH1A1TDP1ALOX15GAACYP1A2 | |
| SCHEMBL9824583 | 0.87 | KMT2A (0.38) | ALDH1A1TDP1GAAPOLBCYP1A2 | |
| SCHEMBL9824588 | 0.87 | KMT2A (0.38) | ALDH1A1TDP1GAAPOLBCYP1A2 | |
| SCHEMBL9375069 | 0.85 | POLB (0.31) | GAAPOLB | |
| SCHEMBL8562796 | 0.84 | ALDH1A1 (0.34) | ALDH1A1TDP1L3MBTL1ALOX15GAA | |
| SCHEMBL9377192 | 0.84 | CDC25B (0.39) | ALDH1A1TDP1L3MBTL1ALOX15GAA |
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-0273417-B1 | THIADIAZABICYCLONONANE DERIVATIVES AND HERBICIDAL COMPOSITIONS | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1991-08-21 | — | — | EP | disclosed |