Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | GMNN | O75496 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL11752284 | 0.85 | ADORA3 (0.69) | NPSR1SMN1; SMN2KDM4EADORA3TSHR | |
| SCHEMBL9123428 | 0.81 | NPSR1 (0.54) | NPSR1HPGDSMN1; SMN2KDM4EADORA3 | |
| SCHEMBL11749151 | 0.80 | KDM4E (0.41) | NPSR1HPGDSMN1; SMN2KDM4EADORA3 | |
| SCHEMBL11865812 | 0.80 | NPSR1 (0.45) | NPSR1HPGDSMN1; SMN2KDM4EGAA | |
| SCHEMBL11754347 | 0.80 | TSHR (0.49) | NPSR1HPGDSMN1; SMN2KDM4EADORA3 | |
| SCHEMBL8440174 | 0.77 | TSHR (0.61) | NPSR1HPGDSMN1; SMN2KDM4EADORA3 | |
| SCHEMBL23686450 | 0.77 | MEN1 (0.61) | NPSR1HPGDSMN1; SMN2KDM4EADORA3 | |
| SCHEMBL17769830 | 0.74 | CA1 (0.59) | HPGDSMN1; SMN2KDM4ETSHRMAPT | |
| SCHEMBL11749789 | 0.73 | KDM4E (0.45) | NPSR1HPGDSMN1; SMN2KDM4EGAA | |
| SCHEMBL11752005 | 0.73 | MAPT (0.60) | NPSR1SMN1; SMN2KDM4EGAATSHR |
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-4048171-A | 1,4-Dihydropyridines | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | claimed |
| US-4048171-A | 1,4-Dihydropyridines | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | disclosed |