Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.40 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.40 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL9302134 | 0.77 | ADORA2B (0.56) | ADORA2BADORA3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL6464351 | 0.76 | PNP (0.47) | ADORA2BCYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL16359618 | 0.74 | ADORA2A (0.45) | ADORA2BADORA3CYP1A2ALDH1A1MEN1 | |
| SCHEMBL26948754 | 0.73 | ADORA2B (0.58) | ADORA2BADORA3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11667080 | 0.73 | ADORA2B (0.48) | ADORA2BCYP3A4CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL7519416 | 0.71 | PDE4A (0.56) | ADORA2BADORA3ALDH1A1KDM4EMEN1 | |
| SCHEMBL27193125 | 0.71 | PDE4A (0.55) | ADORA2BADORA3ALDH1A1KDM4EHPGD | |
| SCHEMBL5616443 | 0.70 | ALDH1A1 (0.44) | ADORA2BADORA3CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL11078954 | 0.67 | ADORA2B (0.48) | ADORA2BADORA3ADORA1ADORA2APDE4A | |
| SCHEMBL2048470 | 0.67 | BRD4 (0.52) | ADORA2BADORA3CYP1A2KDM4EHPGD |
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-20030114414-A1 | Methods for synthesizing substituted pyrimidines | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2003-06-19 | — | — | US | disclosed |
| WO-2002102769-A2 | METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES | UNIVERSITY OF MASSACHUSETTS (US) | 2002-12-27 | — | — | 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-20030114414-A1 | Methods for synthesizing substituted pyrimidines | TYMP, NUDT1, TYMS | ADORA2B 466/4885ADORA3 477/4885CYP3A4 972/4885 |
“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.