Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.65 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16596183 | 0.89 | HDAC1 (0.74) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL13753351 | 0.88 | MCL1 (0.61) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL30174163 | 0.86 | HDAC1 (0.66) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL3551679 | 0.86 | HDAC1 (0.66) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL30174165 | 0.86 | HDAC1 (0.66) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL24883665 | 0.86 | HDAC1 (0.70) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL17373163 | 0.86 | HDAC1 (0.62) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL14163703 | 0.85 | HDAC1 (0.61) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL3554973 | 0.83 | HDAC1 (0.60) | HDAC1HDAC2MCL1HDAC3MEN1 | |
| SCHEMBL5669246 | 0.82 | MCL1 (0.62) | HDAC1HDAC2MCL1HDAC3MEN1 |
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-9751851-B2 | Molecules and compositions that inhibit gram negative bacteria and their uses | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2017-09-05 | — | — | US | disclosed |