Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 15/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 15/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.39 |
| ▸ | CDC42 | P60953 | 1/20 | 0.39 |
| ▸ | RAC1 | P63000 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | FABP2 | P12104 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1679372 | 0.85 | MT-CO2 (0.46) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL27463427 | 0.82 | APP (0.42) | AKR1C3AKR1C2 | |
| SCHEMBL1506456 | 0.82 | APP (0.46) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL15031655 | 0.80 | LPL (0.34) | — | |
| SCHEMBL1506465 | 0.80 | AKR1C3 (0.46) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL1678838 | 0.77 | LIPG (0.50) | AKR1C3AKR1C2PTGS2PTGS1TSHR | |
| SCHEMBL31220241 | 0.76 | TSHR (0.41) | PTGS2TSHRCYP1A2MEN1KMT2A | |
| SCHEMBL320419 | 0.76 | TSHR (0.41) | PTGS2TSHRCYP1A2MEN1KMT2A | |
| SCHEMBL28817172 | 0.76 | CYP1A2 (0.34) | CYP1A2 | |
| SCHEMBL1658478 | 0.75 | PTGS1 (0.48) | AKR1C3AKR1C2PTGS2PTGS1TSHR |
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-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |
| US-20080004301-A1 | Benzene Compound Having 2 or More Substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2008-01-03 | — | — | 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-20080004301-A1 | Benzene Compound Having 2 or More Substituents | NR1H2, NR1H3, NCOR2 | AKR1C3 1193/4885AKR1C2 1007/4885PTGS2 3493/4885 |
“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.