Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 6/20 | 0.67 |
| ▸ | CACNA1B | Q00975 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL8153121 | 0.90 | NR1I2 (0.81) | NR1I2CACNA1BGAANPC1ALDH1A1 | |
| SCHEMBL8158914 | 0.90 | NR1I2 (0.69) | NR1I2CACNA1BGAANPC1ALDH1A1 | |
| SCHEMBL8144788 | 0.83 | NR1I2 (0.70) | NR1I2CACNA1B | |
| SCHEMBL8157418 | 0.82 | NR1I2 (0.69) | NR1I2CACNA1BSCN9A | |
| SCHEMBL8144764 | 0.82 | NR1I2 (0.71) | NR1I2CACNA1BALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8158921 | 0.82 | NR1I2 (0.59) | NR1I2CACNA1BGAANPC1ALDH1A1 | |
| SCHEMBL8156752 | 0.81 | NR1I2 (0.65) | NR1I2CACNA1BSCN9ACNR2 | |
| SCHEMBL8158873 | 0.80 | NR1I2 (1.00) | NR1I2CACNA1BGAANPC1ALDH1A1 | |
| SCHEMBL8143944 | 0.78 | NR1I2 (0.63) | NR1I2CACNA1B | |
| SCHEMBL8158179 | 0.77 | NR1I2 (0.73) | NR1I2CACNA1BGAANPC1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100087446-A1 | 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK SHARP & DOHME CORP. | 2010-04-08 | — | — | US | disclosed |
| WO-2008133867-A1 | 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2008-11-06 | — | — | 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-20100087446-A1 | 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | TRPV1, CACNA1S, TRPV2 | NR1I2 1761/4885CACNA1B 13/4885GAA 2624/4885 |
“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.