Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAPDH | P04406 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10548246 | 0.99 | GAPDH (0.40) | GAPDHKMT2APKMKDM4EHPGD | |
| SCHEMBL10550552 | 0.88 | NPC1 (0.41) | KMT2AALDH1A1 | |
| SCHEMBL10546713 | 0.88 | CASP1 (0.38) | — | |
| SCHEMBL10549582 | 0.86 | POLB (0.53) | GAPDHKMT2APKMKDM4EHPGD | |
| SCHEMBL10413872 | 0.84 | MAPK1 (0.38) | ALDH1A1 | |
| SCHEMBL10544574 | 0.84 | ALDH1A1 (0.37) | KMT2APKMKDM4EHPGDALDH1A1 | |
| SCHEMBL10544583 | 0.84 | ALDH1A1 (0.37) | KMT2APKMKDM4EHPGDALDH1A1 | |
| SCHEMBL10547432 | 0.84 | KMT2A (0.42) | KMT2AALDH1A1 | |
| SCHEMBL10551840 | 0.84 | KMT2A (0.42) | KMT2AALDH1A1 | |
| SCHEMBL10545815 | 0.83 | KMT2A (0.42) | KMT2AKDM4EHPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4831130-A | β-lactam antibacterial agents | HOFFMANN-LA ROCHE INC. (US) | 1989-05-16 | — | — | US | disclosed |