Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16541886 | 0.73 | CA2 (0.53) | KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2145470 | 0.73 | GAA (0.57) | MEN1KMT2AALDH1A1LMNAL3MBTL1 | |
| SCHEMBL3275902 | 0.73 | MEN1 (0.39) | KDM4EMEN1KMT2ANQO2NPC1 | |
| SCHEMBL24875977 | 0.72 | KDM4E (0.38) | KDM4EMEN1KMT2ANQO2NPC1 | |
| Bromide SCHEMBL16180801 | 0.72 | CA2 (0.52) | KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL13403262 | 0.71 | KDM1A (0.46) | KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7819280 | 0.71 | LTA4H (0.57) | NPC1RAB9ATP53 | |
| SCHEMBL24635162 | 0.71 | NCF1 (0.49) | KDM4EKMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5973660 | 0.70 | MAOB (0.57) | KDM4EALDH1A1CYP1A2 | |
| SCHEMBL9088704 | 0.70 | GAA (0.54) | KDM4EMEN1KMT2ARAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023280970-A1 | INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2023-01-12 | — | — | WO | disclosed |