Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | APEX1 | P27695 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4385875 | 1.00 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| Hydrochloric Acid SCHEMBL10430500 | 0.97 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL114543 | 0.97 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL31175999 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL29518645 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL4998896 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL8539745 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| SCHEMBL9661126 | 0.94 | CYP3A4 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| Hydrogen Sulfide SCHEMBL28421942 | 0.94 | TDP1 (0.47) | CYP3A4TDP1ESR1ESR2CALM1 | |
| Hydrochloric Acid SCHEMBL4389637 | 0.91 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2CALM1 |
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-7186865-B2 | Reacting optically active secondary amine with alkylation agent in presence of a base, thereby converting the secondary amine into an optically active tertiary amine and subjecting the tertiary amine to hydrogenolysis, producing the N-monoalkyl derivative; intermediates for drugs, agriculture | CENTRAL GLASS COMPANY, LIMITED (JP) | 2007-03-06 | — | — | US | disclosed |
| US-20040235961-A1 | Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-11-25 | — | — | 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-20040235961-A1 | Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same | NAT1, PNMT, AFF1 | CYP3A4 145/4885TDP1 1702/4885ESR1 3786/4885 |
“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.