Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12690498 | 0.89 | KCNH2 (0.46) | KCNH2CYP2D6GRIN2BTACR1KDM4E | |
| Hydrochloric Acid SCHEMBL4731951 | 0.85 | TACR1 (0.55) | KCNH2CYP2D6GRIN2BTACR1KDM4E | |
| Hydrochloric Acid SCHEMBL4783967 | 0.85 | HTR2C (0.46) | KCNH2CYP2D6GRIN2BTACR1KDM4E | |
| SCHEMBL4733540 | 0.85 | KCNH2 (0.50) | KCNH2KDM4EALDH1A1 | |
| SCHEMBL4731164 | 0.83 | KDM4E (0.41) | KCNH2CYP2D6GRIN2BTACR1KDM4E | |
| SCHEMBL14086378 | 0.83 | TACR1 (0.55) | TACR1KDM4EMEN1GAAHTT | |
| SCHEMBL4896284 | 0.83 | TACR1 (0.55) | TACR1KDM4EMEN1GAAHTT | |
| Hydrochloric Acid SCHEMBL4732441 | 0.83 | TACR1 (0.46) | CYP2D6TACR1KDM4EMEN1GAA | |
| Hydrochloric Acid SCHEMBL4732761 | 0.82 | TACR1 (0.54) | TACR1KDM4EMEN1GAAHTT | |
| SCHEMBL4734545 | 0.81 | TACR1 (0.43) | KCNH2CYP2D6GRIN2BTACR1KDM4E |
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-2008057497-A2 | 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 |
| 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.