Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26566724 | 0.82 | CYP3A4 (0.37) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL7336991 | 0.81 | SMYD2 (0.38) | SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8940570 | 0.81 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL10828681 | 0.79 | SMYD2 (0.34) | SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29015997 | 0.79 | ALOX15 (0.41) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL8354088 | 0.79 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL789538 | 0.79 | ALOX15 (0.41) | SMYD2CYP3A4HTTSMN1; SMN2MEN1 | |
| SCHEMBL708399 | 0.78 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL25343738 | 0.78 | SMYD2 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL14616409 | 0.77 | BTN3A1 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3157929-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | Tocopherx, Inc. (US) | 2017-04-26 | — | — | EP | disclosed |
| WO-2015196759-A1 | PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | TOCOPHERX, INC. (US) | 2015-12-30 | — | — | WO | disclosed |