Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL7885845 | 0.82 | ADORA3 (0.59) | ALDH1A1KMT2AL3MBTL1ADORA3LMNA | |
| SCHEMBL10830282 | 0.76 | ADORA3 (0.45) | ALDH1A1KMT2AADORA3LMNAHIF1A | |
| SCHEMBL9121128 | 0.76 | TSHR (0.71) | ALDH1A1KMT2AL3MBTL1LMNAATM | |
| SCHEMBL3016370 | 0.75 | CACNA1F (0.66) | ALDH1A1KMT2AADORA3LMNAHIF1A | |
| SCHEMBL7343711 | 0.73 | ADORA3 (0.64) | ALDH1A1KMT2AADORA3LMNAHIF1A | |
| SCHEMBL10830287 | 0.73 | HSD17B10 (0.44) | ALDH1A1KMT2AADORA3ATMMEN1 | |
| SCHEMBL12135830 | 0.72 | KDM4E (0.57) | ALDH1A1L3MBTL1 | |
| SCHEMBL11772611 | 0.72 | CACNA1B (0.45) | ALDH1A1KMT2AL3MBTL1LMNAHIF1A | |
| SCHEMBL11461893 | 0.72 | CACNA1B (0.53) | ALDH1A1KMT2AADORA3LMNAHIF1A | |
| Hydrochloric Acid SCHEMBL9008478 | 0.72 | CACNA1B (0.55) | ALDH1A1KMT2AL3MBTL1ADORA3LMNA |
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-4559350-A | Antihypertensive tetrahydropyridine 3-cyano 5-carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-17 | — | — | US | disclosed |