Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | ACR | P10323 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12162119 | 0.91 | PRSS1 (0.38) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL13226029 | 0.90 | ACACB (0.39) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL12162195 | 0.90 | PRSS1 (0.37) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL13226008 | 0.90 | PRSS1 (0.37) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL13253165 | 0.88 | FAAH (0.36) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL11917946 | 0.88 | CYP2C9 (0.48) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL14907432 | 0.88 | CYP2C9 (0.48) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL13226034 | 0.87 | PRSS1 (0.35) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL16746203 | 0.86 | CYP2C9 (0.48) | PRSS1ACRLMNANPC1CYP1A2 | |
| SCHEMBL9999859 | 0.85 | CYP2C9 (0.47) | PRSS1ACRLMNANPC1CYP1A2 |
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-20100201920-A1 | Calamitic Mesogenic Compounds | MERCK PATENT GESELLSCHAFT (DE) | 2010-08-12 | — | — | US | disclosed |
| WO-2009030332-A1 | CALAMITIC MESOGENIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2009-03-12 | — | — | 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-20100201920-A1 | Calamitic Mesogenic Compounds | CALD1, CALR, CALU | PRSS1 4539/4885ACR 1544/4885LMNA 785/4885 |
“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.