Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3328461 | 0.84 | MEN1 (0.39) | ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL13532374 | 0.80 | PARP1 (0.38) | ALDH1A1GAAMEN1KMT2ACTSL | |
| SCHEMBL5636666 | 0.78 | ALDH1A1 (0.42) | ALDH1A1GAAMEN1KMT2ACTSL | |
| SCHEMBL5520219 | 0.75 | ALDH1A1 (0.42) | ALDH1A1GAAMEN1KMT2ACTSL | |
| SCHEMBL22627563 | 0.73 | MEN1 (0.45) | ALDH1A1GAAMEN1KMT2AMAPT | |
| SCHEMBL5913258 | 0.73 | ALDH1A1 (0.45) | ALDH1A1GAAMEN1KMT2APARP1 | |
| SCHEMBL11924453 | 0.71 | KDM4E (0.43) | ALDH1A1GAAPARP1KDM4ELMNA | |
| SCHEMBL10226464 | 0.71 | KDM4E (0.46) | ALDH1A1GAAPARP1KDM4ELMNA | |
| SCHEMBL15629940 | 0.71 | CTSL (0.41) | ALDH1A1GAAMEN1KMT2ACTSL | |
| SCHEMBL12108116 | 0.71 | CTSL (0.42) | ALDH1A1MEN1KMT2ACTSLPARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3182973-B1 | TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION | GLAXOSMITHKLINE IP DEV LTD (GB) | 2019-09-18 | — | — | EP | disclosed |