Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | BCL2 | P10415 | 1/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6272312 | 0.82 | TSHR (0.62) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9806310 | 0.82 | TSHR (0.53) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL28259941 | 0.82 | TSHR (0.53) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| Thiobenzoic Acid SCHEMBL7714480 | 0.79 | TSHR (0.50) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| Benzoic Acid SCHEMBL29974267 | 0.79 | TSHR (0.86) | TSHRCAPN1PTPN1CA1CA2 | |
| SCHEMBL1046696 | 0.79 | TSHR (0.59) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL5597331 | 0.77 | TSHR (0.52) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL23003 | 0.77 | TSHR (0.79) | TSHRCYP2C9CAPN1PTPN1CA1 | |
| SCHEMBL1247034 | 0.77 | TSHR (0.61) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL9365256 | 0.77 | TSHR (0.52) | TSHRCYP2D6CYP2C19CYP1A2CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | PHARMACIA & UPJOHN COMPANY | 2004-09-02 | — | — | US | claimed |
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-20040171881-A1 | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | BACE1, BACE2, PSEN1 | TSHR 3190/4885CYP2D6 2162/4885CYP2C19 3144/4885 |
“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.