Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.61 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | RAD52 | P43351 | 1/20 | 0.60 |
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SLC9A5 | Q14940 | 6/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11528389 | 0.83 | CYP1A2 (0.58) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL3864469 | 0.83 | CYP1A2 (0.65) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL507599 | 0.82 | NPSR1 (0.54) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL29987712 | 0.82 | NPSR1 (0.54) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL11528396 | 0.81 | CYP1A2 (0.68) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL2431417 | 0.81 | CYP1A2 (0.67) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL1136751 | 0.80 | SCNN1A (0.53) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL29625000 | 0.80 | SCNN1A (0.53) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL28798755 | 0.77 | NPSR1 (0.48) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL12108294 | 0.77 | NPSR1 (0.48) | CYP1A2TSHRSLC9A1FTOCYP3A4 |
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-4085211-A | DIURETICS, NATRIURETICS | MERCK & CO., INC. (US) | 1978-04-18 | — | — | US | disclosed |