Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11548994 | 1.00 | NPSR1 (0.44) | NPSR1GAAHPGDALOX15ALDH1A1 | |
| SCHEMBL11547446 | 0.98 | NPSR1 (0.43) | NPSR1GAAHPGDALOX15ALDH1A1 | |
| SCHEMBL11547443 | 0.98 | NPSR1 (0.43) | NPSR1GAAHPGDALOX15ALDH1A1 | |
| SCHEMBL10296760 | 0.85 | TSHR (0.57) | NPSR1GAAHPGDALOX15ALDH1A1 | |
| SCHEMBL106944 | 0.80 | NPSR1 (0.46) | NPSR1GAAHPGDALDH1A1TSHR | |
| SCHEMBL535867 | 0.80 | NPSR1 (0.46) | NPSR1GAAHPGDALDH1A1TSHR | |
| SCHEMBL1778153 | 0.80 | NPSR1 (0.46) | NPSR1GAAHPGDALDH1A1TSHR | |
| SCHEMBL7975644 | 0.79 | NPSR1 (0.44) | NPSR1HPGDALDH1A1TSHRLMNA | |
| SCHEMBL11719535 | 0.79 | NPSR1 (0.44) | NPSR1HPGDALDH1A1TSHRLMNA | |
| SCHEMBL3763246 | 0.79 | NPSR1 (0.44) | NPSR1HPGDALDH1A1TSHRLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4136187-A | CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-01-23 | — | — | US | disclosed |
| US-3959292-A | HYPOTENSIVE AGENTS, CORONARY DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |