Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | VCAM1 | P19320 | 8/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL25592517 | 0.84 | TDP1 (0.48) | TDP1VCAM1MAPK1TSHRPKM | |
| SCHEMBL26790809 | 0.82 | TDP1 (0.47) | TDP1VCAM1MAPK1TSHRPKM | |
| SCHEMBL18288275 | 0.82 | TDP1 (0.43) | TDP1VCAM1MAPK1TSHRPKM | |
| SCHEMBL11066636 | 0.81 | TDP1 (0.55) | TDP1VCAM1MAPK1TSHRALDH1A1 | |
| SCHEMBL11015444 | 0.80 | TDP1 (0.53) | TDP1VCAM1LMNAHTT | |
| SCHEMBL894368 | 0.78 | VCAM1 (0.47) | TDP1VCAM1MAPK1TSHRPKM | |
| SCHEMBL102957 | 0.78 | MAPT (0.49) | TDP1VCAM1MAPK1TSHRPKM | |
| SCHEMBL11071871 | 0.77 | MAPT (0.50) | TDP1VCAM1MAPK1TSHRALDH1A1 | |
| SCHEMBL25167247 | 0.76 | TDP1 (0.38) | TDP1VCAM1MAPK1TSHRPKM | |
| SCHEMBL21986735 | 0.76 | TDP1 (0.43) | TDP1VCAM1MAPK1TSHRALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7408067-B2 | Aza-cyclic compounds as modulators of acetylcholine receptors | MERCK + CO., INC. (US) | 2008-08-05 | — | — | US | disclosed |
| US-20070054912-A1 | Modulators of acetylcholine receptors | ASTLES PETER C | 2007-03-08 | — | — | US | disclosed |
| US-7148236-B2 | Modulators of acetylcholine receptors | MERCK & CO., INC. (US) | 2006-12-12 | — | — | US | disclosed |
| US-20050182088-A1 | Modulators of acetylcholine receptors | MERCK SHARP & DOHME CORP. | 2005-08-18 | — | — | US | disclosed |
| US-20050070520-A1 | Aza-cyclic compounds as modulators of acetylcholine receptors | MERCK SHARP & DOHME CORP. | 2005-03-31 | — | — | US | disclosed |
| EP-1472248-A1 | MODULATORS OF ACETYLCHOLINE RECEPTORS | ELI LILLY AND COMPANY (US) | 2004-11-03 | — | — | EP | disclosed |
| EP-1467986-A1 | AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS | ELI LILLY AND COMPANY (US) | 2004-10-20 | — | — | EP | disclosed |
| WO-2003062224-A1 | AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS | ELI LILLY AND COMPANY (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003062235-A1 | MODULATORS OF ACETYLCHOLINE RECEPTORS | ELI LILLY AND COMPANY (US) | 2003-07-31 | — | — | WO | disclosed |
| US-RE31717-E | 2-Chloro-3-(phenoxy or phenylthio)-6-nitro-anilines | CELAMERCK GMBH & CO. KG (DE) | 1984-10-30 | — | — | US | disclosed |
| US-4394159-A | HERBICIDES | CELAMERCK GMBH & CO. KG (DE) | 1983-07-19 | — | — | US | disclosed |
| EP-0007482-B1 | 2-CHLORO-6-NITROANILINES, PROCESS FOR THEIR PREPARATION, THEIR USE, HERBICIDAL COMPOSITIONS | CELAMERCK GmbH & Co. KG (DE) | 1981-09-16 | — | — | EP | disclosed |
| EP-0007482-A1 | 2-Chloro-6-nitroanilines, process for their preparation, their use, herbicidal compositions | CELAMERCK GmbH & Co. KG (DE) | 1980-02-06 | — | — | EP | 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 (3 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-20050070520-A1 | Aza-cyclic compounds as modulators of acetylcholine receptors | CHRNG, CHRNA4, CHRNB4 | TDP1 1497/4885VCAM1 2354/4885MAPK1 3708/4885 |
| US-20050182088-A1 | Modulators of acetylcholine receptors | CHRM3, CHRNG, CHRM5 | TDP1 970/4885VCAM1 1426/4885MAPK1 2416/4885 |
| US-20070054912-A1 | Modulators of acetylcholine receptors | CHRM3, CHRNG, CHRM5 | TDP1 1721/4885VCAM1 1906/4885MAPK1 4076/4885 |
“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.