Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10150296 | 1.00 | SMAD3 (0.52) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL10150291 | 1.00 | SMAD3 (0.52) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL8297570 | 0.99 | SMAD3 (0.53) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL10150306 | 0.99 | SMAD3 (0.53) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL10150299 | 0.92 | ALDH1A1 (0.53) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL8297579 | 0.92 | ALDH1A1 (0.53) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL10150319 | 0.91 | SMAD3 (0.52) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL8297581 | 0.90 | SMAD3 (0.44) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL8299287 | 0.90 | MEN1 (0.57) | SMAD3ALDH1A1KDM4EHPGDTDP1 | |
| SCHEMBL8299280 | 0.90 | ALDH1A1 (0.46) | SMAD3ALDH1A1KDM4EHPGDTDP1 |
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-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| US-7968545-B2 | Compositions useful as inhibitors of voltage-gated ion channels | VERTEX PHARMACEUTICALS INC. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7968545-B2 | Compositions useful as inhibitors of voltage-gated ion channels | VERTEX PHARMACEUTICALS INC. (US) | 2011-06-28 | — | — | US | disclosed |
| WO-2005014558-A1 | CONDENSED PYRAMIDINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-02-17 | — | — | 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-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | KCNQ1, KCNN2, KCNH3 | SMAD3 3825/4885ALDH1A1 3086/4885KDM4E 2477/4885 |
“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.