Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5952096 | 0.79 | TSHR (0.50) | TSHRCA1CA2HTTALDH1A1 | |
| SCHEMBL1533157 | 0.78 | TSHR (0.46) | TSHRNOTUMLRRK2EGLN2BCAT1 | |
| SCHEMBL29546655 | 0.72 | CYP3A4 (0.47) | TSHRNOTUMLRRK2EGLN2BCAT1 | |
| SCHEMBL663487 | 0.72 | CYP3A4 (0.47) | TSHRNOTUMLRRK2EGLN2BCAT1 | |
| SCHEMBL379458 | 0.72 | TSHR (0.60) | TSHRNOTUMLRRK2EGLN2BCAT1 | |
| SCHEMBL31287961 | 0.72 | TSHR (0.60) | TSHRNOTUMLRRK2EGLN2BCAT1 | |
| SCHEMBL30443847 | 0.72 | BCAT1 (0.49) | TSHRNOTUMEGLN2BCAT1CA1 | |
| Water SCHEMBL28049227 | 0.72 | BCAT1 (0.49) | TSHRNOTUMEGLN2BCAT1CA1 | |
| SCHEMBL158537 | 0.72 | BCAT1 (0.49) | TSHRNOTUMEGLN2BCAT1CA1 | |
| SCHEMBL5951408 | 0.72 | CES2 (0.38) | PTGS2ALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7329668-B2 | Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-12 | — | — | US | disclosed |
| US-20040204432-A1 | Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-14 | — | — | US | disclosed |
| WO-2004075846-A2 | PYRAZOLOPURINE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-10 | — | — | 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-20040204432-A1 | Pyrazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same | TPMT, HPRT1, TYMP | TSHR 3069/4885NOTUM 4357/4885LRRK2 1317/4885 |
“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.