Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4580829 | 0.92 | HDAC1 (0.42) | HDAC1HDAC8HDAC6COMTPKM | |
| SCHEMBL4582041 | 0.90 | HDAC1 (0.41) | HDAC1HDAC8HDAC6COMTALDH1A1 | |
| SCHEMBL4582888 | 0.89 | HDAC1 (0.43) | HDAC1HDAC8HDAC6COMTPIK3CD | |
| SCHEMBL4582003 | 0.88 | CLK4 (0.49) | HDAC1HDAC8HDAC6PIK3CDPIK3CA | |
| SCHEMBL4582230 | 0.84 | HDAC1 (0.41) | HDAC1HDAC8HDAC6HCRTR1PIK3CA | |
| SCHEMBL4591653 | 0.84 | HDAC1 (0.40) | HDAC1HDAC8HDAC6KDM4EPKM | |
| SCHEMBL4582376 | 0.80 | KDR (0.43) | HDAC1HDAC8HDAC6MAPTNPC1 | |
| SCHEMBL4581890 | 0.78 | IDH1 (0.54) | IDH1 | |
| SCHEMBL4581284 | 0.78 | IDH1 (0.56) | IDH1 | |
| SCHEMBL4581979 | 0.78 | IDH1 (0.53) | IDH1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7323464-B2 | Pyridine and pyrimidine derivatives | CELLTECH R&D LIMITED (GB) | 2008-01-29 | — | — | US | claimed |
| US-20050080258-A1 | Pyridine and pyrimidine derivatives | GENTEX CORPORATION | 2005-04-14 | — | — | US | claimed |
| US-7323464-B2 | Pyridine and pyrimidine derivatives | CELLTECH R&D LIMITED (GB) | 2008-01-29 | — | — | US | disclosed |
| US-20050080258-A1 | Pyridine and pyrimidine derivatives | GENTEX CORPORATION | 2005-04-14 | — | — | US | disclosed |
| EP-1448555-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES | Celltech R & D Limited (GB) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045941-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2003-06-05 | — | — | 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 (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-20050080258-A1 | Pyridine and pyrimidine derivatives | ROR1, MAPK1, IRAK1 | HDAC1 481/4885HDAC8 1903/4885HDAC6 2319/4885 |
“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.