Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6652905 | 0.97 | CYP2A6 (0.44) | CYP2A6CES2CES1ALOX15CA1 | |
| SCHEMBL6691577 | 0.95 | CYP2A6 (0.42) | CYP2A6CES2CES1ALOX15CA1 | |
| SCHEMBL3015878 | 0.95 | CYP2A6 (0.42) | CYP2A6CES2CES1ALOX15CA1 | |
| Water SCHEMBL3165300 | 0.92 | CYP2A6 (0.40) | CYP2A6CES2CES1ALOX15CA1 | |
| SCHEMBL9153089 | 0.83 | CA1 (0.36) | CA1CA2ALDH1A1 | |
| SCHEMBL11859127 | 0.80 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL7961201 | 0.75 | CYP2A6 (0.46) | CYP2A6ALDH1A1MEN1KMT2A | |
| SCHEMBL10606718 | 0.75 | ESR1 (0.35) | — | |
| SCHEMBL411845 | 0.74 | ALDH1A1 (0.48) | CYP2A6CES2CES1CA2TSHR | |
| SCHEMBL3292260 | 0.74 | LMNA (0.42) | CYP2A6CES2CES1ALOX15CA1 |
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-20040034257-A1 | Novel sulfone derivatives and process for producing these | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-02-19 | — | — | US | disclosed |
| EP-1359143-A1 | NOVEL SULFONE DERIVATIVES AND PROCESS FOR PRODUCING THESE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2003-11-05 | — | — | EP | 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-20040034257-A1 | Novel sulfone derivatives and process for producing these | RBP4, ADH4, RARB | CYP2A6 103/4885CES2 1155/4885CES1 368/4885 |
“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.