Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11943457 | 0.89 | CYP2D6 (0.53) | HSD17B10KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL11943432 | 0.86 | CYP2D6 (0.48) | HSD17B10KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL14081533 | 0.84 | ALDH1A1 (0.46) | KMT2AALDH1A1SMN1; SMN2DRD2DRD3 | |
| SCHEMBL11943442 | 0.83 | ALDH1A1 (0.42) | HSD17B10KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL11943345 | 0.83 | NPC1 (0.43) | KMT2AALDH1A1SMN1; SMN2DRD2DRD3 | |
| SCHEMBL14080963 | 0.83 | NPC1 (0.43) | MEN1KMT2AALDH1A1SMN1; SMN2HTR1A | |
| SCHEMBL11943414 | 0.83 | NPC1 (0.40) | KDM4EKMT2AALDH1A1SMN1; SMN2DRD2 | |
| SCHEMBL11943822 | 0.82 | LMNA (0.52) | KDM4EALDH1A1SMN1; SMN2NPSR1TSHR | |
| SCHEMBL11943451 | 0.81 | NPC1 (0.43) | KDM4EKMT2AALDH1A1SMN1; SMN2HTR1A | |
| SCHEMBL11943427 | 0.81 | ALDH1A1 (0.52) | HSD17B10KDM4EMEN1KMT2AALDH1A1 |
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-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |