Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PPIA | P62937 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21391871 | 0.94 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9HTTPPIA | |
| 1-Isopentoxy-2-Butoxybenzene SCHEMBL2848360 | 0.92 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9HTTL3MBTL1 | |
| SCHEMBL19806810 | 0.92 | HTT (0.51) | CYP1A2CYP2C19CYP2C9HTTPPIA | |
| 1,2-Dibutoxybenzene SCHEMBL29428927 | 0.85 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9L3MBTL1LTA4H | |
| 1,2-Dibutoxybenzene SCHEMBL1226749 | 0.85 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9L3MBTL1LTA4H | |
| SCHEMBL7931093 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9L3MBTL1LTA4H | |
| 1,2-Dibutoxybenzene SCHEMBL6236324 | 0.83 | CYP1A2 (0.69) | CYP1A2CYP2C19CYP2C9L3MBTL1LTA4H | |
| SCHEMBL20845612 | 0.83 | HTT (0.49) | CYP1A2CYP2C19CYP2C9HTTPPIA | |
| SCHEMBL27555724 | 0.82 | HTT (0.56) | CYP1A2CYP2C19CYP2C9HTTL3MBTL1 | |
| 1-Propoxy-2-Butoxybenzene SCHEMBL2846696 | 0.81 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9L3MBTL1LTA4H |
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-11034720-B2 | Thiol-yne based peptide stapling and uses thereof | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2021-06-15 | — | — | US | disclosed |
| US-20190292218-A1 | THIOL-YNE BASED PEPTIDE STAPLING AND USES THEREOF | UNIVERSITY OF UTAH | 2019-09-26 | — | — | 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-20190292218-A1 | THIOL-YNE BASED PEPTIDE STAPLING AND USES THEREOF | IAPP, TP53, GLP1R | CYP1A2 4369/4885CYP2C19 4281/4885CYP2C9 4111/4885 |
| US-11034720-B2 | Thiol-yne based peptide stapling and uses thereof | IAPP, TP53, GLP1R | CYP1A2 4369/4885CYP2C19 4281/4885CYP2C9 4111/4885 |
“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.