Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 12/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | DRD1 | P21728 | 2/20 | 0.52 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5037735 | 0.83 | PNMT (0.48) | TAAR1NOS1SMN1; SMN2LOXL2PNMT | |
| SCHEMBL29819459 | 0.83 | PNMT (0.48) | TAAR1NOS1SMN1; SMN2LOXL2PNMT | |
| SCHEMBL659100 | 0.78 | TAAR1 (0.70) | TAAR1DRD2DRD1NOS1HTR2A | |
| Hydrochloric Acid SCHEMBL3957562 | 0.75 | TAAR1 (0.67) | TAAR1DRD2DRD1NOS1HTR2A | |
| SCHEMBL8674936 | 0.75 | ENPP2 (0.45) | NOS1 | |
| SCHEMBL3057497 | 0.72 | TAAR1 (0.63) | TAAR1DRD2DRD1NOS1HTR2A | |
| SCHEMBL387514 | 0.72 | TAAR1 (1.00) | TAAR1DRD2DRD1NOS1HTR2A | |
| SCHEMBL44414 | 0.72 | TAAR1 (0.63) | TAAR1DRD2DRD1NOS1HTR2A | |
| SCHEMBL15267169 | 0.72 | ACHE (0.35) | ACHE | |
| SCHEMBL31318817 | 0.72 | TAAR1 (0.57) | TAAR1DRD2DRD1NOS1HTR2A |
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 | TAAR1 2530/4885DRD2 2050/4885DRD1 2124/4885 |
“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.