Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.58 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.58 |
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6467427 | 0.84 | SMN1; SMN2 (0.52) | PARP1PARP2PARP3GAAPOLB | |
| SCHEMBL6505228 | 0.83 | KDM4E (0.55) | PARP1PARP2PARP3GAAIKBKB | |
| SCHEMBL3568441 | 0.83 | ALDH1A1 (0.54) | PARP1PARP2PARP3GAAPOLB | |
| SCHEMBL12800605 | 0.82 | RAB9A (0.55) | PARP1GAAIKBKBNOTUMKDM4E | |
| SCHEMBL3574295 | 0.80 | PARP1 (0.50) | PARP1PARP2PARP3GAAPOLB | |
| SCHEMBL21071035 | 0.79 | TP53 (0.57) | GAAPOLBALDH1A1HPGDNPC1 | |
| SCHEMBL31664230 | 0.79 | TP53 (0.57) | GAAPOLBALDH1A1HPGDNPC1 | |
| SCHEMBL12800042 | 0.77 | IRAK4 (0.50) | GAAPOLBIKBKBCCNA2CDK2 | |
| SCHEMBL13811464 | 0.77 | PARP1 (0.48) | PARP1PARP2PARP3GAAPOLB | |
| SCHEMBL27676613 | 0.76 | PARP1 (0.48) | PARP1PARP2PARP3GAAPOLB |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7834034-B2 | Benzothiophene derivatives | MERCK SHARP & DOHME CORP. (US) | 2010-11-16 | — | — | US | claimed |
| US-20090012075-A1 | Fluorinated Arylamide Derivatives | MERCK SHARP & DOHME CORP. | 2009-01-08 | — | — | US | claimed |
| EP-1976511-A2 | FLUORINATED ARYLAMIDE DERIVATIVES | Merck & Co., Inc. (US) | 2008-10-08 | — | — | EP | claimed |
| WO-2007087129-A2 | FLUORINATED ARYLAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | claimed |
| US-7834034-B2 | Benzothiophene derivatives | MERCK SHARP & DOHME CORP. (US) | 2010-11-16 | — | — | US | disclosed |
| EP-1874295-A4 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO INC (US) | 2009-08-12 | — | — | EP | disclosed |
| US-20090082308-A1 | Benzothiophene derivatives | MERCK SHARP & DOHME LLC | 2009-03-26 | — | — | US | disclosed |
| US-20090012075-A1 | Fluorinated Arylamide Derivatives | MERCK SHARP & DOHME CORP. | 2009-01-08 | — | — | US | disclosed |
| EP-1976511-A2 | FLUORINATED ARYLAMIDE DERIVATIVES | Merck & Co., Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| EP-1874295-A1 | BENZOTHIOPHENE DERIVATIVES | Merck & Co., Inc. (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2007087129-A2 | FLUORINATED ARYLAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |
| WO-2006115845-A1 | BENZOTHIOPHENE DERIVATIVES | MERCK & CO., INC. (US) | 2006-11-02 | — | — | 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 (2 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-20090012075-A1 | Fluorinated Arylamide Derivatives | HDAC5, AADAC, HDAC6 | PARP1 1015/4885PARP2 1387/4885PARP3 2206/4885 |
| US-20090082308-A1 | Benzothiophene derivatives | BRDT, HDAC5, BRPF3 | PARP1 1054/4885PARP2 1095/4885PARP3 945/4885 |
“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.