Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1091555 | 0.81 | — | — | |
| Biphenyl SCHEMBL27656690 | 0.74 | ALDH1A1 (0.69) | ALDH1A1PTGS2SLC6A4SLC22A2SLC22A1 | |
| Biphenyl SCHEMBL27519887 | 0.72 | ALDH1A1 (0.64) | ALDH1A1PTGS2SLC6A4SLC22A2SLC22A1 | |
| SCHEMBL12770874 | 0.70 | CYP2D6 (0.54) | ALDH1A1CYP17A1KMT2AHPGDNPSR1 | |
| SCHEMBL7009772 | 0.70 | CYP2D6 (0.54) | ALDH1A1CYP17A1KMT2AHPGDNPSR1 | |
| Biphenyl SCHEMBL23270851 | 0.69 | ALDH1A1 (0.60) | ALDH1A1PTGS2SLC6A4SLC22A2SLC22A1 | |
| Biphenyl SCHEMBL9503944 | 0.69 | ALDH1A1 (0.60) | ALDH1A1PTGS2SLC6A4SLC22A2SLC22A1 | |
| Biphenyl SCHEMBL8391913 | 0.69 | ALDH1A1 (0.60) | ALDH1A1PTGS2SLC6A4SLC22A2SLC22A1 | |
| Biphenyl SCHEMBL11779724 | 0.69 | ALDH1A1 (0.60) | ALDH1A1PTGS2SLC6A4SLC22A2SLC22A1 | |
| Biphenyl SCHEMBL3105248 | 0.69 | ALDH1A1 (0.60) | ALDH1A1PTGS2SLC6A4SLC22A2SLC22A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6590119-B2 | Catalytic alcoholysis of benzoylcyclohexanone ketals; products useful as intermediates for diarylpyrrole therapeutic agents | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-07-08 | — | — | US | disclosed |
| US-20020107408-A1 | Methods for the synthesis of dioxoalkanoic acid compounds | FERRO MICHAEL P (US) | 2002-08-08 | — | — | US | disclosed |
| US-6355812-B1 | ALCOHOLYSIS OF BENZOYLCYCLOHEXANONE KETAL COMPOUNDS | ORTH-MCNEIL PHARMACEUTICAL, INC. | 2002-03-12 | — | — | 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-20020107408-A1 | Methods for the synthesis of dioxoalkanoic acid compounds | DCK, DDT, AOX1 | ALDH1A1 281/4885CYP17A1 111/4885PTGS2 1154/4885 |
“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.