Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 5/20 | 0.32 |
| ▸ | GAA | P10253 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5819544 | 0.84 | SMYD3 (0.32) | CCR5KCNH2SMYD3CNR2EPHX2 | |
| SCHEMBL5819539 | 0.84 | SMYD3 (0.32) | CCR5KCNH2SMYD3CNR2EPHX2 | |
| SCHEMBL5819548 | 0.84 | SMYD3 (0.32) | CCR5KCNH2SMYD3CNR2EPHX2 | |
| SCHEMBL3870311 | 0.83 | SMYD3 (0.36) | CCR5KCNH2SMYD3CNR2EPHX2 | |
| SCHEMBL3870308 | 0.83 | SMYD3 (0.36) | CCR5KCNH2SMYD3CNR2EPHX2 | |
| SCHEMBL8291616 | 0.83 | SMYD3 (0.36) | CCR5KCNH2SMYD3CNR2EPHX2 | |
| Hydrochloric Acid SCHEMBL3873511 | 0.82 | SMYD3 (0.36) | CCR5KCNH2SMYD3CNR2EPHX2 | |
| Hydrochloric Acid SCHEMBL3873506 | 0.82 | SMYD3 (0.36) | CCR5KCNH2SMYD3CNR2EPHX2 | |
| SCHEMBL9963213 | 0.76 | CNR2 (0.49) | CCR5KCNH2CNR2EPHX2HCRTR1 | |
| SCHEMBL20969916 | 0.73 | CNR2 (0.45) | CCR5KCNH2SMYD3CNR2EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8268996-B2 | Compounds and compositions as cathepsin S inhibitors | IRM LLC (BM) | 2012-09-18 | — | — | US | disclosed |
| US-20110245243-A1 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | NOVARTIS AG | 2011-10-06 | — | — | US | 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-20110245243-A1 | COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS | CTSS, CTSB, CTSF | CCR5 1230/4885KCNH2 4538/4885SMYD3 4552/4885 |
“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.