Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2176754 | 1.00 | P2RX7 (0.42) | P2RX7HSP90AA1CYP19A1MKNK1HPGDS | |
| SCHEMBL14968784 | 0.82 | P2RX7 (0.43) | P2RX7HSP90AA1CYP19A1MKNK1HPGDS | |
| SCHEMBL5390729 | 0.76 | KMT2A (0.40) | P2RX7TDP1KDM4ETSHR | |
| SCHEMBL20993622 | 0.74 | CYP1A2 (0.45) | KDM4ECYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL1534974 | 0.74 | CYP1A2 (0.45) | KDM4ECYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL20993625 | 0.74 | CYP1A2 (0.45) | KDM4ECYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL4557709 | 0.74 | ALDH1A1 (0.44) | P2RX7CYP19A1TDP1KDM4ECYP1A2 | |
| SCHEMBL28300910 | 0.74 | P2RX7 (0.40) | P2RX7HSP90AA1CYP19A1MKNK1KDM4E | |
| SCHEMBL16150460 | 0.73 | P2RX7 (0.42) | P2RX7HSP90AA1CYP19A1AKT1KDM4E | |
| SCHEMBL28864538 | 0.71 | — | — |
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-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | ARQULE, INC. (US) | 2011-07-07 | — | — | 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-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | DPYD, TP53, TYMP | P2RX7 469/4885HSP90AA1 3381/4885CYP19A1 1636/4885 |
“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.