Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8354535 | 0.83 | NISCH (0.47) | NISCHCYP19A1ALDH1A1CYP3A4ESR1 | |
| SCHEMBL5139850 | 0.81 | CYP19A1 (0.40) | MTORADKNISCHCYP19A1ALDH1A1 | |
| SCHEMBL697087 | 0.81 | CYP19A1 (0.47) | MTORADKNISCHCYP19A1ALDH1A1 | |
| SCHEMBL6302051 | 0.81 | CYP19A1 (0.47) | MTORADKNISCHCYP19A1ALDH1A1 | |
| SCHEMBL11089506 | 0.80 | MTOR (0.45) | MTORADKNISCHCYP19A1ALDH1A1 | |
| Trityl Imidazole SCHEMBL1572623 | 0.80 | MTOR (0.45) | MTORADKNISCHCYP19A1ALDH1A1 | |
| SCHEMBL6090949 | 0.77 | CYP19A1 (0.64) | MTORADKNISCHCYP19A1CYP3A4 | |
| SCHEMBL5676876 | 0.77 | CYP19A1 (0.46) | MTORADKNISCHCYP19A1CYP3A4 | |
| SCHEMBL11532100 | 0.76 | CYP19A1 (0.62) | MTORADKNISCHCYP19A1ALDH1A1 | |
| SCHEMBL5738213 | 0.75 | NISCH (0.43) | MTORADKNISCHCYP19A1ALDH1A1 |
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-8198299-B2 | Cycloalkylidene and heterocycloalkylidene inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-06-12 | — | — | US | disclosed |
| US-20120045412-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-02-23 | — | — | US | disclosed |
| US-8088771-B2 | Cycloalkylidene and heterocycloalkylidene inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-20100022543-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2010-01-28 | — | — | 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-20120045412-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | HDAC1, HDAC11, HDAC2 | MTOR 397/4885ADK 2689/4885NISCH 4671/4885 |
| US-20100022543-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | HDAC1, HDAC11, HDAC2 | MTOR 397/4885ADK 2689/4885NISCH 4671/4885 |
“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.