Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 5/20 | 0.77 |
| ▸ | RAB9A | P51151 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 5/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28587056 | 0.87 | SMPD1 (1.00) | SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2254423 | 0.84 | SMPD1 (0.76) | SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL1186257 | 0.82 | SMN1; SMN2 (0.76) | SMPD1RAB9ANPC1SMN1; SMN2MAOB | |
| SCHEMBL30418238 | 0.81 | SMPD1 (0.71) | SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7438620 | 0.81 | SMPD1 (0.71) | SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3161746 | 0.79 | SMPD1 (0.65) | SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL12871351 | 0.79 | NPC1 (0.90) | RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL7048265 | 0.79 | SMPD1 (0.60) | SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8983027 | 0.78 | SMPD1 (0.67) | SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL15825021 | 0.78 | SIRT2 (0.68) | SMPD1RAB9ANPC1SMN1; SMN2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2297129-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME (US) | 2013-07-24 | — | — | EP | disclosed |
| US-8343990-B2 | Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment | MERCK SHARP & DOHME CORP. (US) | 2013-01-01 | — | — | US | disclosed |
| US-20110028501-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | 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-20110028501-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | GPR119, GPR27, GPR139 | SMPD1 874/4885RAB9A 1180/4885NPC1 531/4885 |
“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.