Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.42 |
| ▸ | CHRNG | P07510 | 4/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.42 |
| ▸ | CHRND | Q07001 | 4/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL829825 | 0.80 | NOTUM (0.39) | RIPK1KCNH2 | |
| SCHEMBL25280393 | 0.71 | CHRNB2 (0.42) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL28907823 | 0.71 | DRD2 (0.44) | — | |
| SCHEMBL19179846 | 0.70 | RIPK1 (0.37) | SLC6A3SLC6A4SLC6A2RIPK1 | |
| SCHEMBL1421910 | 0.70 | RIPK1 (0.41) | SLC6A2RIPK1 | |
| SCHEMBL2242113 | 0.69 | RIPK1 (0.48) | SLC6A3SLC6A4SLC6A2RIPK1HRH3 | |
| SCHEMBL16291788 | 0.69 | HRH3 (0.36) | SLC6A3RIPK1KCNH2HRH3 | |
| SCHEMBL19179650 | 0.69 | RIPK1 (0.36) | RIPK1KCNH2 | |
| SCHEMBL15141291 | 0.69 | HRH3 (0.36) | SLC6A3RIPK1KCNH2HRH3 | |
| SCHEMBL6994599 | 0.69 | SLC6A2 (0.37) | SLC6A3SLC6A4SLC6A2KCNH2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343763-B2 | Heterocyclic derivatives as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-20120149742-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | US | disclosed |
| US-8143297-B2 | Heterocyclic derivatives as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110098328-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-28 | — | — | US | disclosed |
| EP-2307412-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| US-7846954-B2 | Heterocyclic derivatives as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-07 | — | — | US | disclosed |
| WO-2010002956-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-07 | — | — | WO | disclosed |
| US-20100004300-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-07 | — | — | 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 (3 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-20120149742-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | TRPV1, KCNJ2, KCNN3 | SLC6A3 417/4885SLC6A4 351/4885SLC6A2 460/4885 |
| US-20100004300-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | TRPV1, KCNJ2, KCNN3 | SLC6A3 417/4885SLC6A4 351/4885SLC6A2 460/4885 |
| US-20110098328-A1 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | TRPV1, KCNJ2, KCNN3 | SLC6A3 417/4885SLC6A4 351/4885SLC6A2 460/4885 |
“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.