Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 3/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | GPR39 | O43194 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL30748784 | 0.89 | NUDT1 (0.38) | NUDT1ROCK2ROCK1CDC42BPBIDH1 | |
| SCHEMBL4580389 | 0.80 | NUDT1 (0.48) | NUDT1ROCK2ROCK1CDC42BPBIDH1 | |
| SCHEMBL4581477 | 0.79 | NR3C2 (0.54) | NUDT1IDH1HDAC6HDAC8PIK3C3 | |
| SCHEMBL4581475 | 0.79 | NR3C2 (0.54) | NUDT1IDH1HDAC6HDAC8PIK3C3 | |
| SCHEMBL4581446 | 0.78 | IDH1 (0.57) | NUDT1IDH1ALDH1A1MEN1KMT2A | |
| SCHEMBL12185048 | 0.77 | BCHE (0.43) | DYRK1AALDH1A1KDM4EMAPTHTT | |
| SCHEMBL12615103 | 0.77 | BCHE (0.43) | DYRK1AALDH1A1KDM4EMAPTHTT | |
| SCHEMBL20575880 | 0.76 | PRCP (0.42) | NUDT1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL30749076 | 0.74 | SORD (0.46) | — | |
| SCHEMBL2640795 | 0.74 | HPGD (0.42) | PSEN1PSEN2APH1BNCSTNAPH1A |
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 2 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 | disclosed |
| US-20050080258-A1 | Pyridine and pyrimidine derivatives | GENTEX CORPORATION | 2005-04-14 | — | — | US | 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 | NUDT1 762/4885ROCK2 1139/4885ROCK1 118/4885 |
“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.