Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10797625 | 0.79 | CA1 (0.47) | NPC1CA2CA1CA9PHLPP2 | |
| SCHEMBL7931655 | 0.79 | CASP6 (0.52) | CA2CA1CA9PHLPP2CASP6 | |
| SCHEMBL10821013 | 0.78 | CASP6 (0.46) | NPC1CA2CA1CA9CASP6 | |
| SCHEMBL3830815 | 0.75 | RAPGEF4 (0.59) | NPC1CA2CA1CA9PHLPP2 | |
| SCHEMBL9459478 | 0.75 | NPC1 (0.50) | NPC1CA2CA1CA9PHLPP2 | |
| SCHEMBL21487977 | 0.75 | RXFP1 (0.53) | NPC1CA2CA1CA9CA3 | |
| SCHEMBL7441828 | 0.74 | ALDH1A1 (0.56) | NPC1CA2CA1CA9MAPT | |
| SCHEMBL11701179 | 0.74 | ALDH1A1 (0.53) | NPC1CA2CA1CA9PHLPP2 | |
| SCHEMBL11432565 | 0.74 | CASP6 (0.51) | NPC1CA2CA1CA9PHLPP2 | |
| SCHEMBL11438410 | 0.73 | KDM4E (0.50) | NPC1CA2CA1CA9PHLPP2 |
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 |