Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 13/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 12/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1033197 | 0.86 | ALDH1A1 (0.55) | KDM4EALDH1A1USP2 | |
| SCHEMBL3624500 | 0.85 | AGPAT2 (0.42) | CDK9CCNT1KDM4EALDH1A1USP2 | |
| SCHEMBL31011561 | 0.85 | AGPAT2 (0.42) | CDK9CCNT1KDM4EALDH1A1USP2 | |
| SCHEMBL30507316 | 0.84 | MAP3K14 (0.52) | CDK9CCNT1KDM4EALDH1A1 | |
| SCHEMBL28497653 | 0.84 | MAP3K14 (0.52) | CDK9CCNT1KDM4EALDH1A1 | |
| SCHEMBL3625411 | 0.83 | IDO1 (0.45) | TDO2KDM4EALDH1A1 | |
| SCHEMBL31505996 | 0.83 | HSP90AA1 (0.51) | CDK9CCNT1KDM4EALDH1A1USP2 | |
| SCHEMBL2983938 | 0.83 | HSP90AA1 (0.51) | CDK9CCNT1KDM4EALDH1A1USP2 | |
| SCHEMBL23943387 | 0.82 | KDM1A (0.46) | CDK9KDM4EALDH1A1AMY1AUSP2 | |
| SCHEMBL3399379 | 0.80 | ALDH1A1 (0.51) | KDM4EALDH1A1CYP1A2CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010015653-A1 | PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE | SMITHKLINE BEECHAM CORPORATION (US) | 2010-02-11 | — | — | WO | disclosed |