Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30731274 | 0.76 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL31285 | 0.75 | HSD17B1 (0.51) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL799881 | 0.73 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL30663 | 0.72 | GAA (0.50) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL30666 | 0.72 | HSD17B1 (0.59) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL19435592 | 0.70 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL21652231 | 0.69 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL2055276 | 0.69 | CA12 (0.46) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL13640332 | 0.68 | CA12 (0.59) | CYP1A2CYP3A4CYP2C19MAPTMEN1 | |
| SCHEMBL31558330 | 0.68 | TDP1 (0.56) | CYP1A2CYP3A4CYP2C19PDK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |