Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | FADS1 | O60427 | 1/20 | 0.38 |
| ▸ | EIF2AK2 | P19525 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30041862 | 1.00 | NPC1 (0.40) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL23618336 | 0.91 | NPC1 (0.44) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL26260641 | 0.90 | ABCB1 (0.43) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL30041878 | 0.90 | ABCB1 (0.43) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL26261606 | 0.89 | PDE10A (0.38) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL25402063 | 0.89 | SMN1; SMN2 (0.40) | NPC1RAB9AMEN1KMT2ACDK1 | |
| SCHEMBL25398632 | 0.88 | TRPA1 (0.40) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL30040660 | 0.88 | TRPA1 (0.40) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL30041184 | 0.87 | ABCB1 (0.41) | NPC1RAB9APDE10ACYP1A2CYP3A4 | |
| SCHEMBL26260672 | 0.87 | ABCB1 (0.41) | NPC1RAB9APDE10ACYP1A2CYP3A4 |
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-20230286942-A1 | NEW PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2023-09-14 | — | — | 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-20230286942-A1 | NEW PqsR INVERSE AGONISTS | QRFPR, P2RY11, GPR55 | NPC1 4374/4885RAB9A 991/4885MEN1 2836/4885 |
“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.