Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1583735 | 0.75 | POLB (0.32) | — | |
| SCHEMBL15244830 | 0.75 | ESR1 (0.41) | ALDH1A1SMN1; SMN2KMT2AMAPTHPGD | |
| SCHEMBL2695770 | 0.75 | CYP2B6 (0.50) | CYP2B6OPRM1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL20764152 | 0.74 | HTR2C (0.33) | ALDH1A1HPGD | |
| SCHEMBL2697747 | 0.73 | CYP2B6 (0.53) | CYP2B6OPRM1ALDH1A1HTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5539110 | 0.73 | SLC6A2 (0.32) | HPGD | |
| SCHEMBL2697321 | 0.72 | CYP2B6 (0.66) | CYP2B6ALDH1A1HTTOPRD1SMN1; SMN2 | |
| SCHEMBL9910033 | 0.71 | SMN1; SMN2 (0.45) | CYP2B6OPRM1ALDH1A1OPRD1SMN1; SMN2 | |
| SCHEMBL8153659 | 0.68 | CHRM2 (0.32) | ALDH1A1HTTOPRD1SMN1; SMN2MEN1 | |
| SCHEMBL11087105 | 0.68 | GSK3A (0.42) | CYP2B6OPRM1ALDH1A1SMN1; SMN2MEN1 |
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-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 |
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-20120045412-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | HDAC1, HDAC11, HDAC2 | CYP2B6 2859/4885OPRM1 4385/4885ALDH1A1 957/4885 |
“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.