Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 2/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12903992 | 0.98 | ACHE (0.44) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| SCHEMBL909800 | 0.96 | ACHE (0.48) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| SCHEMBL12903980 | 0.96 | CYP19A1 (0.37) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| SCHEMBL191996 | 0.84 | ACHE (0.59) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| Ammonia Solution, Strong SCHEMBL4946565 | 0.81 | ACHE (0.56) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL4381078 | 0.81 | ACHE (0.56) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| Alcohol SCHEMBL9525249 | 0.74 | PTGS2 (0.54) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| SCHEMBL21264353 | 0.73 | MAPT (0.47) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| SCHEMBL2529901 | 0.73 | ACHE (0.46) | CYP19A1ACHENQO2MAPTCYP3A4 | |
| Mescaline SCHEMBL31079671 | 0.72 | HTR2A (0.79) | CYP19A1CYP3A4KDM4ETSHRMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110015155-A1 | Deuterated 2, 4-Pyrimidinediamine Compounds and Prodrugs Thereof and Their Uses | RIGEL PHARMACEUTICALS, INC. (US) | 2011-01-20 | — | — | 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-20110015155-A1 | Deuterated 2, 4-Pyrimidinediamine Compounds and Prodrugs Thereof and Their Uses | DPYD, DUT, TYMP | CYP19A1 715/4885ACHE 1927/4885NQO2 239/4885 |
“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.