Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 6/20 | 0.45 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 2/20 | 0.40 |
| ▸ | BTK | Q06187 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | OGA | O60502 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4581698 | 1.00 | IDH1 (0.45) | IDH1NR3C2NUDT1LCKBTK | |
| SCHEMBL4581233 | 0.93 | IDH1 (0.48) | IDH1NR3C2NUDT1OGAHDAC6 | |
| SCHEMBL4581236 | 0.93 | IDH1 (0.48) | IDH1NR3C2NUDT1OGAHDAC6 | |
| SCHEMBL4581411 | 0.89 | IDH1 (0.43) | IDH1NR3C2NUDT1OGAHDAC6 | |
| SCHEMBL4581417 | 0.89 | IDH1 (0.43) | IDH1NR3C2NUDT1OGAHDAC6 | |
| SCHEMBL4579683 | 0.88 | IDH1 (0.47) | IDH1NR3C2NUDT1OGAHDAC6 | |
| SCHEMBL4579677 | 0.88 | IDH1 (0.47) | IDH1NR3C2NUDT1OGAHDAC6 | |
| SCHEMBL4581695 | 0.87 | IDH1 (0.41) | IDH1NR3C2NUDT1OGAHDAC6 | |
| SCHEMBL4581697 | 0.87 | IDH1 (0.41) | IDH1NR3C2NUDT1OGAHDAC6 | |
| SCHEMBL4580725 | 0.86 | IDH1 (0.46) | IDH1NR3C2NUDT1OGAHDAC6 |
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 | IDH1 424/4885NR3C2 787/4885NUDT1 762/4885 |
“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.