Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | CASP6 | P55212 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | DNA2 | P51530 | 1/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL893998 | 0.81 | TDP1 (0.55) | PARP1TDP1ALDH1A1DAOMAPT | |
| SCHEMBL30012694 | 0.81 | TDP1 (0.55) | PARP1TDP1ALDH1A1DAOMAPT | |
| SCHEMBL7034341 | 0.79 | PARP1 (0.71) | PARP1TDP1ALDH1A1MAPTCASP6 | |
| SCHEMBL7242400 | 0.75 | PARP1 (1.00) | PARP1TDP1ALDH1A1MAPTCASP6 | |
| SCHEMBL29475175 | 0.73 | TDP1 (1.00) | PARP1TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL57166 | 0.73 | TDP1 (1.00) | PARP1TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL6537493 | 0.71 | ALDH1A1 (0.58) | PARP1TDP1ALDH1A1MAPTCASP6 | |
| SCHEMBL6538267 | 0.71 | DNA2 (0.63) | PARP1TDP1ALDH1A1MAPTCASP6 | |
| SCHEMBL28093598 | 0.71 | TDP1 (0.95) | PARP1TDP1ALDH1A1MAPTMAPK1 | |
| SCHEMBL1610805 | 0.70 | CASP6 (0.47) | PARP1TDP1ALDH1A1DAOMAPT |
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-20100204278-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | MERCK SHARP & DOHME CORP. | 2010-08-12 | — | — | 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-20100204278-A1 | Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment | HCAR1, HCAR2, FFAR1 | PARP1 2605/4885TDP1 3366/4885ALDH1A1 1181/4885 |
“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.