Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | RORC | P51449 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL10953975 | 0.90 | VCAM1 (0.64) | VCAM1NPSR1KDM4EPARP1MAPK1 | |
| SCHEMBL10939851 | 0.89 | VCAM1 (0.71) | VCAM1NPSR1KDM4EMAPK1GAA | |
| SCHEMBL10951432 | 0.84 | VCAM1 (0.56) | VCAM1NPSR1KDM4EMAPK1GAA | |
| SCHEMBL10951198 | 0.84 | ALDH1A1 (0.56) | VCAM1NPSR1KDM4EMAPK1GAA | |
| SCHEMBL10955605 | 0.83 | VCAM1 (0.81) | VCAM1NPSR1KDM4EPARP1MAPK1 | |
| SCHEMBL10902402 | 0.83 | NPSR1 (0.71) | VCAM1NPSR1KDM4EMAPK1GAA | |
| SCHEMBL8625237 | 0.82 | PARP1 (0.64) | VCAM1PARP1MAPK1GAAMAPT | |
| SCHEMBL2394121 | 0.80 | KDM4E (0.67) | VCAM1NPSR1KDM4EMAPK1GAA | |
| SCHEMBL10954211 | 0.80 | PARP1 (0.74) | VCAM1PARP1MAPK1SMN1; SMN2MAPT | |
| SCHEMBL10953243 | 0.80 | HSD17B10 (0.62) | NPSR1KDM4EMAPK1GAARORC |
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-4556738-A | CATALYTICALLY REDUCING AND DEHALOGENATING A DINITROBENZOPHENONE | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-12-03 | — | — | US | disclosed |