Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.57 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | HTT | P42858 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | RAD52 | P43351 | 2/20 | 0.57 |
| ▸ | RGS12 | O14924 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL28003674 | 0.94 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| Hydrochloric Acid SCHEMBL28992847 | 0.92 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL13527225 | 0.88 | BCHE (0.55) | NPC1RAB9ASMN1; SMN2POLBACHE | |
| SCHEMBL28336484 | 0.86 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| Iodide SCHEMBL5144040 | 0.78 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL2863957 | 0.78 | SMN1; SMN2 (0.78) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| Hydrochloric Acid SCHEMBL8179702 | 0.78 | SMN1; SMN2 (0.59) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL7481437 | 0.77 | — | — | |
| SCHEMBL627771 | 0.77 | SMN1; SMN2 (0.81) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL4070988 | 0.77 | SMN1; SMN2 (0.81) | NPC1RAB9ASMN1; SMN2KDM4EHTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586613-B2 | Pyridinium and quinolinium derivatives | UNIVERSIDAD DE GRANADA (ES) | 2013-11-19 | — | — | US | disclosed |
| US-20110178124-A1 | PYRIDINIUM AND QUINOLINIUM DERIVATIVES | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2011-07-21 | — | — | US | disclosed |
| US-7781458-B2 | Derivatives of pyridine and quinoline | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2010-08-24 | — | — | US | disclosed |
| EP-1710236-B1 | DERIVATIVES OF PYRIDINE AND QUINOLINE | CONSEJO SUPERIOR INVESTIGACION (ES) | 2010-03-24 | — | — | EP | disclosed |
| EP-2085386-A2 | Pyridinium and quinolinium derivatives as Choline kinase inhibitors | Consejo Superior De Investigaciones Científicas (ES) | 2009-08-05 | — | — | EP | disclosed |
| US-20070185170-A1 | Derivatives of pyridine and quinoline | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2007-08-09 | — | — | US | disclosed |
| EP-1710236-A1 | DERIVATIVES OF PYRIDINE AND QUINOLINE | CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2006-10-11 | — | — | EP | 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 (2 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-20070185170-A1 | Derivatives of pyridine and quinoline | CHKA, CHKB, PHOSPHO1 | NPC1 1412/4885RAB9A 2594/4885SMN1; SMN2 3979/4885 |
| US-20110178124-A1 | PYRIDINIUM AND QUINOLINIUM DERIVATIVES | CHKA, PHOSPHO1, CHKB | NPC1 2055/4885RAB9A 2732/4885SMN1; SMN2 3504/4885 |
“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.