Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.68 |
| ▸ | TSHR | P16473 | 5/20 | 0.68 |
| ▸ | SLC9A1 | P19634 | 5/20 | 0.68 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | RAD52 | P43351 | 1/20 | 0.66 |
| ▸ | SLC9A5 | Q14940 | 8/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | THPO | P40225 | 3/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | GMNN | O75496 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11616169 | 0.81 | CYP1A2 (0.61) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL11528424 | 0.81 | ALDH1A1 (0.62) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL29406659 | 0.81 | CYP1A2 (1.00) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL9852481 | 0.81 | CYP1A2 (1.00) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL11528389 | 0.78 | CYP1A2 (0.58) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL3864469 | 0.78 | CYP1A2 (0.65) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL14513863 | 0.77 | CYP1A2 (0.81) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL11529204 | 0.73 | GRM5 (0.50) | CYP1A2TSHRSLC9A1FTOSLC9A5 | |
| SCHEMBL11146943 | 0.72 | CYP1A2 (0.58) | CYP1A2TSHRSLC9A1FTOCYP3A4 | |
| SCHEMBL27109638 | 0.72 | CYP1A2 (0.58) | 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-4145551-A | DIURETICS | MERCK & CO., INC. (US) | 1979-03-20 | — | — | US | claimed |