Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA1 | Q15788 | 1/20 | 0.51 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5808924 | 0.95 | LMNA (0.47) | NCOA1NCOA3LMNAMAPTTP53 | |
| SCHEMBL5796637 | 0.82 | LMNA (0.59) | LMNAMAPTTP53ALDH1A1HTT | |
| SCHEMBL5811144 | 0.79 | ULK1 (0.37) | NCOA1NCOA3MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL5820332 | 0.75 | LMNA (0.54) | LMNAMAPTALDH1A1HTTMAPK1 | |
| SCHEMBL5794482 | 0.75 | MAPT (0.56) | LMNAMAPTTP53ALDH1A1HTT | |
| SCHEMBL21498009 | 0.73 | MAPT (0.72) | LMNAMAPTTP53ALDH1A1HTT | |
| SCHEMBL5795178 | 0.70 | SMN1; SMN2 (0.54) | LMNAMAPTALDH1A1HTTL3MBTL1 | |
| SCHEMBL19668244 | 0.68 | KDR (0.72) | LMNAMAPTHTTMAPK1SMN1; SMN2 | |
| SCHEMBL26546756 | 0.68 | KDR (0.76) | LMNAMAPTTP53ALDH1A1HTT | |
| SCHEMBL7292316 | 0.67 | MAPT (0.69) | LMNAMAPTTP53ALDH1A1HTT |
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-2006015279-A1 | HETEROCYCLIC DIAMINE COMPOUNDS AS LIGANDS OF THE MELANIN CONCENTRATING HORMONE RECEPTOR USEFUL FOR THE TREATMENT OF OBESITY, DIABETES, EATING AND SEXUAL DISORDERS | NEUROGEN CORPORATION (US) | 2006-02-09 | — | — | WO | claimed |