Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10881186 | 0.76 | AURKA (0.49) | AURKAAURKBTTRALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL11264863 | 0.75 | NQO1 (0.44) | AURKAAURKBTTRALDH1A1TDP1 | |
| SCHEMBL10698298 | 0.73 | AURKA (0.39) | AURKAAURKBTTRALDH1A1TDP1 | |
| SCHEMBL5683924 | 0.72 | PGAM1 (0.45) | AURKAAURKBTTRALDH1A1TDP1 | |
| SCHEMBL26895312 | 0.72 | RAPGEF4 (0.49) | AURKAAURKBTTRALDH1A1TDP1 | |
| SCHEMBL10440009 | 0.71 | GABRA1 (0.37) | CYP1A2 | |
| SCHEMBL28915445 | 0.71 | AURKA (0.36) | AURKAAURKBTTRALDH1A1HSD17B10 | |
| SCHEMBL29001904 | 0.70 | RAPGEF4 (0.47) | TTRALDH1A1TDP1HSD17B10CASP1 | |
| SCHEMBL10904359 | 0.70 | ALDH1A1 (0.39) | AURKAAURKBTTRALDH1A1TDP1 | |
| SCHEMBL27881048 | 0.70 | TTR (0.46) | AURKAAURKBTTRALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0777703-A2 | DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME | Kyungin Synthetic Corporation (KR) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996033240-A2 | DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME | KYUNG-IN SYNTHETIC CORPORATION (KR) | 1996-10-24 | — | — | WO | disclosed |