Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NCK1 | P16333 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2989781 | 0.86 | CYP1A2 (0.47) | CYP1A2ALDH1A1KDM4EMAPTCYP2A6 | |
| SCHEMBL1091674 | 0.79 | CYP1A2 (0.54) | CYP1A2ALDH1A1KDM4EMAPTCYP2A6 | |
| SCHEMBL2990087 | 0.78 | KDM4E (0.45) | CYP1A2ALDH1A1KDM4ECYP2A6NQO2 | |
| SCHEMBL3743180 | 0.76 | CYP1A2 (0.50) | CYP1A2ALDH1A1KDM4EMAPTCYP2A6 | |
| SCHEMBL5542408 | 0.72 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EMAPTCYP2A6 | |
| SCHEMBL269764 | 0.72 | ALDH1A1 (0.42) | CYP1A2ALDH1A1KDM4EMAPTNQO2 | |
| SCHEMBL9755328 | 0.71 | CYP1A2 (0.65) | CYP1A2ALDH1A1KDM4EMAPTCYP2A6 | |
| SCHEMBL29660577 | 0.71 | CYP1A2 (0.65) | CYP1A2ALDH1A1KDM4EMAPTCYP2A6 | |
| SCHEMBL15119495 | 0.69 | ALDH1A1 (0.62) | CYP1A2ALDH1A1KDM4EMAPTCYP2A6 | |
| SCHEMBL31261751 | 0.67 | CYP1A2 (1.00) | CYP1A2ALDH1A1KDM4ECYP2A6NQO2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100173930-A1 | Certain Chemical Entities, Compositions and Methods | CYTOKINETICS, INC. | 2010-07-08 | — | — | US | claimed |
| WO-2008016648-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-02-07 | — | — | WO | claimed |
| US-20100173930-A1 | Certain Chemical Entities, Compositions and Methods | CYTOKINETICS, INC. | 2010-07-08 | — | — | US | disclosed |
| WO-2008016648-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-02-07 | — | — | 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-20100173930-A1 | Certain Chemical Entities, Compositions and Methods | TNNC1, TNNI3, TNNT2 | CYP1A2 3663/4885ALDH1A1 3165/4885KDM4E 4444/4885 |
“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.