Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18796004 | 0.87 | PTGES (0.42) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL296886 | 0.85 | KCNH2 (0.42) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL19354157 | 0.84 | KCNH2 (0.44) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL28446573 | 0.84 | PDE10A (0.39) | KCNH2CACNA1CMAPTNQO2MEN1 | |
| SCHEMBL20776919 | 0.82 | KCNH2 (0.46) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL19330300 | 0.82 | KCNH2 (0.46) | KCNH2CACNA1CHTR2ACSNK1DNPC1 | |
| SCHEMBL31125772 | 0.81 | BACE1 (0.41) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL19354234 | 0.81 | KCNH2 (0.47) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL19354042 | 0.81 | KCNH2 (0.39) | KCNH2CACNA1CNR1I2HTR1AHTR2A | |
| SCHEMBL30701237 | 0.81 | KCNH2 (0.39) | KCNH2CACNA1CNR1I2HTR1AHTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110059948-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS | THE INSTITUTE OF MOLECULAR MEDICINE (IN) | 2011-03-10 | — | — | 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 (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-20110059948-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS | NQO1, NQO2, NDUFV1 | KCNH2 2506/4885CACNA1C 4346/4885ADORA2A 3492/4885 |
“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.