Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.38 |
| ▸ | MGAM | O43451 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 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 | |
|---|---|---|---|---|
| SCHEMBL19181577 | 0.88 | SMYD2 (0.37) | SMYD2NPSR1PSEN1PSEN2APH1B | |
| SCHEMBL19181556 | 0.87 | SMYD2 (0.37) | SMYD2NPSR1PSEN1PSEN2APH1B | |
| SCHEMBL19180508 | 0.86 | SMYD2 (0.37) | SMYD2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL17065329 | 0.86 | SMYD2 (0.37) | SMYD2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL17065394 | 0.85 | SMYD2 (0.36) | SMYD2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL17065382 | 0.83 | KDM4E (0.36) | SMYD2POLB | |
| SCHEMBL19179474 | 0.83 | KDM4E (0.36) | SMYD2POLB | |
| SCHEMBL19179494 | 0.83 | SMYD2 (0.35) | SMYD2SMN1; SMN2CYP3A4HTTPSMB5 | |
| SCHEMBL17065331 | 0.83 | SMYD2 (0.35) | SMYD2SMN1; SMN2CYP3A4HTTPSMB5 | |
| SCHEMBL19179276 | 0.82 | SMYD2 (0.34) | SMYD2PSEN1PSEN2APH1BNCSTN |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3113780-B1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-08-14 | — | — | EP | disclosed |
| US-9994587-B2 | HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-06-12 | — | — | US | disclosed |
| US-20170217986-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-08-03 | — | — | US | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170217986-A1 | HIV PROTEASE INHIBITORS | CTSV, PRSS1, PREP | SMYD2 1556/4885MGAM 867/4885NPSR1 2394/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.