Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25348858 | 0.83 | PARP1 (0.55) | PARP1PARP2PARP3ALDH1A1LMNA | |
| SCHEMBL13811464 | 0.80 | PARP1 (0.48) | PARP1PARP2PARP3ALDH1A1LMNA | |
| SCHEMBL3574293 | 0.80 | PARP1 (0.58) | PARP1PARP2PARP3ALDH1A1LMNA | |
| SCHEMBL14327666 | 0.78 | ADORA3 (0.49) | PARP1PARP2PARP3ALDH1A1MAPT | |
| SCHEMBL3568443 | 0.77 | ADORA1 (0.51) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL3999180 | 0.76 | PARP1 (0.48) | PARP1PARP2PARP3ALDH1A1LMNA | |
| SCHEMBL5958372 | 0.74 | NOTUM (0.53) | PARP1PARP2PARP3ALDH1A1LMNA | |
| SCHEMBL8243540 | 0.72 | RAB9A (0.47) | ALDH1A1LMNAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL2132953 | 0.72 | NOTUM (0.47) | PARP1PARP2PARP3ALDH1A1LMNA | |
| SCHEMBL1639703 | 0.72 | PKM (0.45) | PARP1PARP2PARP3ALDH1A1LMNA |
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.