Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.38 |
| ▸ | GRK2 | P25098 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16221095 | 0.89 | ROCK2 (0.48) | ROCK2MMP13ROCK1SYKTRPA1 | |
| SCHEMBL16221024 | 0.88 | TP53 (0.52) | ROCK2MMP13TP53GRK2SMN1; SMN2 | |
| SCHEMBL16221157 | 0.85 | ROCK2 (0.53) | ROCK2MMP13ROCK1TRPA1GRK2 | |
| SCHEMBL16221022 | 0.85 | GRK2 (0.50) | TP53LMNAPOLBKCNH2TRPA1 | |
| SCHEMBL16221129 | 0.85 | ROCK2 (0.41) | ROCK2MMP13ROCK1TP53KCNH2 | |
| SCHEMBL16221023 | 0.85 | LMNA (0.40) | TP53LMNAPOLBTRPA1GRK2 | |
| SCHEMBL17677797 | 0.84 | LMNA (0.46) | TP53LMNAPOLBTRPA1GRK2 | |
| SCHEMBL16221267 | 0.82 | ROCK2 (0.60) | ROCK2MMP13ROCK1TRPA1GRK2 | |
| SCHEMBL16221013 | 0.82 | CHRM1 (0.49) | ROCK2MMP13ROCK1TP53GRK2 | |
| SCHEMBL17677791 | 0.81 | LMNA (0.46) | TP53LMNAPOLBTRPA1CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9540371-B2 | Substituted quinazolin-4(3H)-ones, pyrido[3,4-d]pyrimidin-4(3H)-ones, pyrido[3,2-d]pyrimidin-4(3H)-ones and pyrido[2,3-d]pyrimidin-4(3H)-ones as positive allosteric modulators of muscarinic acetycholine receptor M1 | VANDERBILT UNIVERSITY (US) | 2017-01-10 | — | — | US | disclosed |
| US-9540371-B2 | Substituted quinazolin-4(3H)-ones, pyrido[3,4-d]pyrimidin-4(3H)-ones, pyrido[3,2-d]pyrimidin-4(3H)-ones and pyrido[2,3-d]pyrimidin-4(3H)-ones as positive allosteric modulators of muscarinic acetycholine receptor M1 | VANDERBILT UNIVERSITY (US) | 2017-01-10 | — | — | US | disclosed |
| US-20160102090-A1 | SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 | VANDERBILT UNIVERSITY (US) | 2016-04-14 | — | — | US | disclosed |
| US-20160102090-A1 | SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 | VANDERBILT UNIVERSITY (US) | 2016-04-14 | — | — | US | disclosed |
| WO-2014179237-A1 | SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 | VANDERBILT UNIVERSITY (US) | 2014-11-06 | — | — | 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-20160102090-A1 | SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 | CHRM1, CHRM3, CHRM4 | ROCK2 962/4885MMP13 4629/4885ROCK1 476/4885 |
“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.