Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25821832 | 0.93 | CYP2D6 (0.57) | CHRM2CHRM1CHRM3CYP2D6HTR1B | |
| SCHEMBL2907365 | 0.91 | CHRM2 (0.66) | CHRM2CHRM1CHRM3CYP2D6KCNH2 | |
| SCHEMBL25819935 | 0.88 | MEN1 (0.62) | CHRM2CHRM1CHRM3HTR1BMEN1 | |
| SCHEMBL14855263 | 0.88 | CHRM2 (0.57) | CHRM2CHRM1CHRM3CYP2D6MEN1 | |
| SCHEMBL13881575 | 0.87 | KDM4E (0.57) | CHRM2CHRM1CHRM3CYP2D6HTR1B | |
| SCHEMBL8986194 | 0.87 | CHRM2 (0.53) | CHRM2CHRM1CHRM3CYP2D6HTR1B | |
| SCHEMBL13881613 | 0.87 | CHRM2 (0.56) | CHRM2CHRM1CHRM3CYP2D6HTR1B | |
| SCHEMBL19291789 | 0.87 | MEN1 (0.60) | CHRM2CHRM1CHRM3HTR1BMEN1 | |
| SCHEMBL13881688 | 0.87 | CHRM2 (0.53) | CHRM2CHRM1CHRM3CYP2D6HTR1B | |
| SCHEMBL19291581 | 0.87 | CHRM2 (0.56) | CHRM2CHRM1CHRM3CYP2D6HTR1B |
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-8008440-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2011-08-30 | — | — | US | disclosed |
| US-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) | 2007-05-24 | — | — | 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-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | F2, BCAT1, DAO | CHRM2 2396/4885CHRM1 1973/4885CHRM3 3721/4885 |
“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.