Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | FHIT | P49789 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | IRS1 | P35568 | 1/20 | 0.38 |
| ▸ | GAB1 | Q13480 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21448950 | 0.80 | RAF1 (0.45) | ALDH1A1HPGDSMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL4315953 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL299130 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL281865 | 0.75 | MAPT (0.43) | ALDH1A1HPGDSMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL283280 | 0.75 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL24369643 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HPGDSMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL4080719 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HPGDSMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL15945408 | 0.75 | GAA (0.50) | ALDH1A1HPGDSMN1; SMN2CYP1A2GAA | |
| SCHEMBL13477788 | 0.74 | GAA (0.44) | ALDH1A1HPGDSMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL743320 | 0.74 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2CYP1A2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2227453-B1 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | VERTEX PHARMA (US) | 2016-03-09 | — | — | EP | disclosed |
| US-8697883-B2 | Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof | SANOFI (FR) | 2014-04-15 | — | — | US | disclosed |
| US-8519137-B2 | Heteroaryl amides useful as inhibitors of voltage-gated sodium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-27 | — | — | US | disclosed |
| US-20120095040-A1 | CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-04-19 | — | — | US | disclosed |
| EP-2227453-A2 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009049180-A2 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-04-16 | — | — | WO | disclosed |
| US-20090099233-A1 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-04-16 | — | — | 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 (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-20090099233-A1 | HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | CACNA1B, SCN3A, SCN2A | ALDH1A1 2465/4885HPGD 1277/4885SMN1; SMN2 1406/4885 |
| US-20120095040-A1 | CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | EPOR, ACAD9, CBR1 | ALDH1A1 1344/4885HPGD 2000/4885SMN1; SMN2 2003/4885 |
“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.