Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.30 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.30 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19179494 | 1.00 | SMYD2 (0.35) | SMYD2CYP3A4PSMB5SIRT2SIRT1 | |
| SCHEMBL19181572 | 0.89 | SIRT2 (0.31) | SIRT2SIRT1 | |
| SCHEMBL17065329 | 0.84 | SMYD2 (0.37) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL16834440 | 0.84 | SMYD2 (0.33) | SMYD2CYP3A4 | |
| SCHEMBL17065394 | 0.83 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL17065348 | 0.83 | SMYD2 (0.38) | SMYD2CYP3A4PSMB5HTTSMN1; SMN2 | |
| SCHEMBL19180508 | 0.82 | SMYD2 (0.37) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL19181577 | 0.80 | SMYD2 (0.37) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL19181556 | 0.79 | SMYD2 (0.37) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL17065382 | 0.78 | KDM4E (0.36) | SMYD2 |
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-3113780-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134366-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-11 | — | — | WO | disclosed |