Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 15/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3399505 | 0.86 | ATR (0.30) | ATR | |
| SCHEMBL2300165 | 0.84 | HEXA (0.32) | — | |
| SCHEMBL2297731 | 0.83 | HSP90AA1 (0.33) | ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL2300039 | 0.81 | AURKA (0.39) | — | |
| SCHEMBL2301214 | 0.80 | AGTR1 (0.35) | ALDH1A1KDM4E | |
| SCHEMBL2299693 | 0.80 | ALDH1A1 (0.32) | ALDH1A1HPGD | |
| SCHEMBL4114786 | 0.80 | L3MBTL1 (0.35) | ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL2297601 | 0.80 | RECQL (0.34) | ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL2295621 | 0.80 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP3A4ALDH1A1KDM4E | |
| SCHEMBL2301190 | 0.80 | CTSA (0.36) | KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110312975-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | YANG ZHE (US) | 2011-12-22 | — | — | US | claimed |
| US-20090253737-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED | 2009-10-08 | — | — | US | claimed |
| US-20110312975-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | YANG ZHE (US) | 2011-12-22 | — | — | US | disclosed |
| US-20110312975-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | YANG ZHE (US) | 2011-12-22 | — | — | US | disclosed |
| US-7989469-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INCORPORATED (US) | 2011-08-02 | — | — | US | disclosed |
| US-20090253737-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED | 2009-10-08 | — | — | 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 (2 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-20090253737-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TNNC1, TNNI3, TNNT2 | CYP1A2 4638/4885CYP2D6 4237/4885CYP3A4 4635/4885 |
| US-20110312975-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | TNNC1, TNNI3, TNNT2 | CYP1A2 4443/4885CYP2D6 4129/4885CYP3A4 4436/4885 |
“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.