Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27784531 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL6089702 | 0.81 | TSHR (0.38) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL4852014 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP1A2TSHRMAPK1ADRB1 | |
| SCHEMBL807524 | 0.78 | TSHR (0.46) | TSHRMAPK1L3MBTL1MAP2K1SMN1; SMN2 | |
| SCHEMBL84270 | 0.74 | TSHR (0.36) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL1464678 | 0.74 | CYP3A4 (0.39) | CYP3A4CYP1A2TSHRPIK3CASMN1; SMN2 | |
| SCHEMBL3462087 | 0.74 | TSHR (0.36) | TSHRMAPK1L3MBTL1SMN1; SMN2NOTUM | |
| SCHEMBL8973695 | 0.72 | CD44 (0.48) | CYP3A4CYP1A2CYP2C9TSHRPIK3CA | |
| SCHEMBL5801533 | 0.71 | CYP1A2 (0.36) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL5111434 | 0.71 | ALDH1A1 (0.48) | CYP3A4CYP1A2TSHRADRB2ADRB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120122892-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2012-05-17 | — | — | US | disclosed |
| US-8129403-B2 | e.g. 2-[9-(5-Cyclopropyl-1H-pyrazol-3-yl)-6-methyl-9H-purin-2-ylamino]-2-(4-fluorophenyl)ethanol; tropomyosin-related kinases (Trk's) inhibitor; anticarcinoganic agent; solid tumors and leukemia | ASTRAZENECA AB (SE) | 2012-03-06 | — | — | US | disclosed |
| US-20090227648-A1 | PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER | ASTRAZENECA AB | 2009-09-10 | — | — | US | disclosed |
| US-20080176872-A1 | Chemical Compounds | ASTRAZENECA AB (SE) | 2008-07-24 | — | — | 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 (3 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-20080176872-A1 | Chemical Compounds | TP53, XPOT, KRAS | CYP3A4 68/4885CYP1A2 69/4885CYP2C9 193/4885 |
| US-20120122892-A1 | CHEMICAL COMPOUNDS | TP53, XPOT, KRAS | CYP3A4 62/4885CYP1A2 59/4885CYP2C9 174/4885 |
| US-20090227648-A1 | PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER | TP53, PDK2, PDK1 | CYP3A4 61/4885CYP1A2 256/4885CYP2C9 524/4885 |
“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.