Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 2/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3485492 | 0.93 | NR1I2 (0.55) | NR1I2ALDH1A1GAACACNA1BTP53 | |
| SCHEMBL13401027 | 0.90 | NR1I2 (0.50) | NR1I2ALDH1A1GAACACNA1BNPC1 | |
| SCHEMBL3486003 | 0.90 | ALDH1A1 (0.47) | NR1I2ALDH1A1GAACACNA1BTP53 | |
| SCHEMBL8150072 | 0.82 | NR1I2 (0.55) | NR1I2ALDH1A1GAACACNA1BTP53 | |
| SCHEMBL12945190 | 0.79 | NR1I2 (0.60) | NR1I2ALDH1A1GAACACNA1BTP53 | |
| SCHEMBL3485683 | 0.77 | NR1I2 (0.74) | NR1I2ALDH1A1GAACACNA1BTP53 | |
| SCHEMBL8151113 | 0.72 | NR1I2 (0.61) | NR1I2ALDH1A1GAACACNA1BSMN1; SMN2 | |
| SCHEMBL8150104 | 0.70 | NR1I2 (0.73) | NR1I2ALDH1A1GAACACNA1BACLY | |
| SCHEMBL21023417 | 0.69 | NR1I2 (0.55) | NR1I2ALDH1A1GAACACNA1BNPC1 | |
| SCHEMBL8152069 | 0.67 | CACNA1B (0.59) | NR1I2ALDH1A1CACNA1BSMN1; SMN2ACLY |
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 4 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 |
| EP-2150112-A1 | 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008133867-A1 | 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2008-11-06 | — | — | WO | 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 1761/4885ALDH1A1 541/4885GAA 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.