Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13005240 | 0.87 | HRH3 (0.49) | HRH3ALDH1A1KDM4ETDP1PARP1 | |
| SCHEMBL13005239 | 0.85 | HRH3 (0.47) | HRH3ALDH1A1KDM4ETDP1PARP1 | |
| SCHEMBL3771811 | 0.85 | HRH3 (0.67) | HRH3ALDH1A1TRPV1MAPTNPSR1 | |
| SCHEMBL3772561 | 0.83 | ALDH1A1 (0.52) | HRH3ALDH1A1KDM4EPARP1MAPT | |
| SCHEMBL3776097 | 0.82 | HRH3 (0.64) | HRH3ALDH1A1KDM4ETRPV1MAPT | |
| SCHEMBL3767997 | 0.82 | TSHR (0.53) | ALDH1A1KDM4ETDP1MAPTTP53 | |
| SCHEMBL3774250 | 0.81 | MAPT (0.60) | ALDH1A1KDM4EMAPTNPSR1HTT | |
| SCHEMBL3771221 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4EPARP1MAPTNPSR1 | |
| SCHEMBL13004952 | 0.81 | KDM4E (0.67) | ALDH1A1KDM4ETDP1PARP1MAPT | |
| SCHEMBL3765753 | 0.80 | ALDH1A1 (0.52) | ALDH1A1KDM4EPARP1MAPTTP53 |
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-2007016496-A2 | DIPIPERAZINYL KETONES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-02-08 | — | — | WO | disclosed |