Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4481760 | 0.92 | ALDH1A1 (0.43) | SLC6A4POLBGAAALDH1A1HTT | |
| SCHEMBL14186857 | 0.82 | HDAC3 (0.41) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL760192 | 0.80 | SLC6A9 (0.36) | GAALMNA | |
| SCHEMBL14186856 | 0.78 | HTT (0.46) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL27741272 | 0.78 | HDAC3 (0.38) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL13046342 | 0.78 | IDO1 (0.39) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL1911630 | 0.78 | HTT (0.46) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL29062520 | 0.78 | HTT (0.46) | HDAC3HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL7042356 | 0.77 | ESR1 (0.41) | CHRM1SLC6A2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1731978 | 0.77 | CNR1 (0.44) | HDAC4HDAC7HDAC5CHRM1SLC6A2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008155777-A2 | PROCESS FOR PREPARING EFLETRIZINE | CADILA HEALTHCARE LIMITED (IN) | 2008-12-24 | — | — | WO | claimed |
| EP-2758058-B1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME (US) | 2017-04-26 | — | — | EP | disclosed |
| EP-2758058-B1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME (US) | 2017-04-26 | — | — | EP | disclosed |
| US-9034851-B2 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. (US) | 2015-05-19 | — | — | US | disclosed |
| US-9034851-B2 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. (US) | 2015-05-19 | — | — | US | disclosed |
| US-9034851-B2 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. (US) | 2015-05-19 | — | — | US | disclosed |
| US-20140235583-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME LLC | 2014-08-21 | — | — | US | disclosed |
| US-20140235583-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME LLC | 2014-08-21 | — | — | US | disclosed |
| US-20140235583-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME LLC | 2014-08-21 | — | — | US | disclosed |
| EP-2758058-A1 | SUBSTITUTED PYRIMIDINES | Merck Sharp & Dohme Corp. (US) | 2014-07-30 | — | — | EP | disclosed |
| WO-2013043621-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |
| WO-2013040789-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |
| WO-2013043621-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |
| US-7582651-B2 | Pyrrolopyridine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-01 | — | — | US | disclosed |
| WO-2008155777-A2 | PROCESS FOR PREPARING EFLETRIZINE | CADILA HEALTHCARE LIMITED (IN) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008155777-A2 | PROCESS FOR PREPARING EFLETRIZINE | CADILA HEALTHCARE LIMITED (IN) | 2008-12-24 | — | — | WO | disclosed |
| US-20060167038-A1 | Pyrrolopyridine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-07-27 | — | — | US | disclosed |
| EP-1535922-A1 | PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2005-06-01 | — | — | 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 (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-20140235583-A1 | SUBSTITUTED PYRIMIDINES | HIF1AN, HIF1A, EGLN3 | HDAC3 3255/4885HDAC1 2774/4885HDAC2 1603/4885 |
| US-20060167038-A1 | Pyrrolopyridine derivative and use thereof | OPRD1, TRPV1, OPRM1 | HDAC3 2920/4885HDAC1 2335/4885HDAC2 3244/4885 |
“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.