Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21611961 | 0.87 | RAB9A (0.46) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL24027326 | 0.85 | RAB9A (0.44) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL21611983 | 0.85 | PDE10A (0.48) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL24027327 | 0.80 | NPC1 (0.51) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL21612004 | 0.76 | PDE10A (0.44) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL24027392 | 0.76 | NPC1 (0.43) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL21611967 | 0.76 | PDE10A (0.42) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL24027388 | 0.76 | GAA (0.50) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL24027391 | 0.75 | GRIN1 (0.47) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL21614775 | 0.75 | PDE10A (0.42) | SMN1; SMN2RAB9ANPC1CYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210353606-A1 | PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-11-18 | — | — | 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-20210353606-A1 | PqsR INVERSE AGONISTS | QRFPR, P2RY11, QARS1 | SMN1; SMN2 4555/4885RAB9A 722/4885NPC1 4357/4885 |
“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.