Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7347859 | 0.86 | MAPT (0.48) | KDM4ENPSR1POLBGPR55ADORA3 | |
| SCHEMBL7343553 | 0.86 | ADORA3 (0.45) | KDM4ENPSR1ADORA3ALDH1A1MAPT | |
| SCHEMBL7349721 | 0.86 | KDM4E (0.62) | KDM4ENPSR1POLBADORA3ALDH1A1 | |
| SCHEMBL7349531 | 0.83 | ADORA3 (0.55) | KDM4ENPSR1POLBADORA3ALDH1A1 | |
| SCHEMBL7348034 | 0.83 | CACNA1C (0.46) | KDM4ENPSR1ADORA3ALDH1A1MAPT | |
| SCHEMBL7345505 | 0.82 | POLB (0.55) | KDM4ENPSR1POLBGPR55ADORA3 | |
| SCHEMBL7342398 | 0.81 | ADORA3 (0.43) | KDM4ENPSR1ADORA3ALDH1A1MAPT | |
| SCHEMBL7347558 | 0.81 | KDM4E (0.72) | KDM4ENPSR1POLBGPR55ADORA3 | |
| SCHEMBL7344608 | 0.80 | KDM4E (0.62) | KDM4ENPSR1ADORA3ALDH1A1MAPT | |
| SCHEMBL10744175 | 0.80 | ALDH1A1 (0.51) | KDM4EPOLBADORA3ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4833150-A | HYPOTENSIVES, ANTIARRHYTHMIA AGENTS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1989-05-23 | — | — | US | disclosed |
| US-4652573-A | HYPOTENSIVE AGENTS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0194685-A1 | 1,4-Dihydropyridines | Whitby Research Incorporated (US) | 1986-09-17 | — | — | EP | disclosed |