Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL12678651 | 1.00 | KCNH2 (0.41) | KCNH2CYP2D6GRIN2BADORA2AADORA2B | |
| SCHEMBL4780351 | 0.92 | ADORA2A (0.39) | KCNH2CYP2D6GRIN2BADORA2AADORA2B | |
| SCHEMBL12690162 | 0.89 | MEN1 (0.39) | TACR1KDM4EALDH1A1 | |
| SCHEMBL4730577 | 0.88 | MEN1 (0.36) | KCNH2CYP2D6GRIN2BALDH1A1NTRK1 | |
| SCHEMBL12678648 | 0.88 | MEN1 (0.36) | KCNH2CYP2D6GRIN2BALDH1A1NTRK1 | |
| SCHEMBL12678567 | 0.87 | GPR119 (0.42) | CYP2D6IRAK4TACR1KDM4EALDH1A1 | |
| SCHEMBL4891350 | 0.87 | TACR1 (0.45) | TACR1KDM4EALDH1A1 | |
| SCHEMBL12678720 | 0.87 | TACR1 (0.45) | TACR1KDM4EALDH1A1 | |
| SCHEMBL4733869 | 0.86 | AAK1 (0.37) | KCNH2CYP2D6TACR1NTRK1KAT6A | |
| SCHEMBL12678663 | 0.86 | AAK1 (0.37) | KCNH2CYP2D6TACR1NTRK1KAT6A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120245184-A1 | SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION | ADERANS RESEARCH INSTITUTE, INC. | 2012-09-27 | — | — | US | disclosed |
| US-8273747-B2 | tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin | CURIS, INC. (US) | 2012-09-25 | — | — | US | disclosed |
| US-20080193423-A1 | Small organic molecule regulators of cell proliferation | CURIS, INC. (US) | 2008-08-14 | — | — | US | disclosed |
| US-20080194637-A1 | Small organic molecule regulators of cell proliferation | CURIS, INC. (US) | 2008-08-14 | — | — | US | disclosed |
| US-20080182859-A1 | tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin | CURIS, INC. (US) | 2008-07-31 | — | — | US | disclosed |
| WO-2008057468-A1 | SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION | CURIS, INC. (US) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008057469-A1 | SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION | WYETH (US) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008057497-A2 | SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION | CURIS, INC. (US) | 2008-05-15 | — | — | WO | disclosed |
| US-20080058521-A1 | Processes for the preparation of compounds | WYETH (US) | 2008-03-06 | — | — | US | disclosed |
| WO-2007089669-A2 | PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION | WYETH (US) | 2007-08-09 | — | — | 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 (5 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-20080193423-A1 | Small organic molecule regulators of cell proliferation | GLI1, SHH, SMO | KCNH2 3249/4885CYP2D6 4780/4885GRIN2B 3297/4885 |
| US-20080058521-A1 | Processes for the preparation of compounds | MKI67, MCL1, DCX | KCNH2 4601/4885CYP2D6 1885/4885GRIN2B 3585/4885 |
| US-20120245184-A1 | SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION | GLI1, SHH, SMO | KCNH2 3249/4885CYP2D6 4780/4885GRIN2B 3297/4885 |
| US-20080194637-A1 | Small organic molecule regulators of cell proliferation | GLI1, SHH, SMO | KCNH2 3249/4885CYP2D6 4780/4885GRIN2B 3297/4885 |
| US-20080182859-A1 | tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin | SHH, GLI1, SMO | KCNH2 3674/4885CYP2D6 4339/4885GRIN2B 2937/4885 |
“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.