Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAP2K1 | Q02750 | 6/20 | 0.42 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | MAP2K5 | Q13163 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
| ▸ | CHRNG | P07510 | 1/20 | 0.40 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL4861222 | 0.87 | CHRNA1 (0.44) | TAS1R3TAS1R1ALDH1A1MAP2K1CES2 | |
| SCHEMBL4859968 | 0.85 | MAPK1 (0.39) | TAS1R3TAS1R1ALDH1A1MAP2K1MAP2K2 | |
| SCHEMBL5395452 | 0.81 | TRPA1 (0.46) | TAS1R3TAS1R1ALDH1A1MAP2K1CES2 | |
| SCHEMBL5396300 | 0.78 | CES2 (0.43) | TAS1R3TAS1R1ALDH1A1CES2CES1 | |
| SCHEMBL4859235 | 0.78 | CES2 (0.46) | TAS1R3TAS1R1ALDH1A1MAPK1CES2 | |
| SCHEMBL6291672 | 0.77 | MAP2K1 (0.50) | MAP2K1MAP2K2MAPK1BRAFMAP2K5 | |
| SCHEMBL29777573 | 0.75 | CES2 (0.53) | TAS1R3TAS1R1ALDH1A1MAPK1CES2 | |
| SCHEMBL5379829 | 0.75 | CES2 (0.53) | TAS1R3TAS1R1ALDH1A1MAPK1CES2 | |
| SCHEMBL4862621 | 0.74 | KMT2A (0.42) | TAS1R3TAS1R1ALDH1A1MAPK1CES2 | |
| SCHEMBL5384518 | 0.74 | CHRNA1 (0.49) | TAS1R3TAS1R1CES2CES1TRPA1 |
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-7411001-B2 | Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids | WARNER-LAMBERT COMPANY (US) | 2008-08-12 | — | — | US | disclosed |
| US-20050176820-A1 | Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids | WARNER-LAMBERT COMPANY | 2005-08-11 | — | — | 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-20050176820-A1 | Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids | CYP4X1, CYP2A7, CYP4B1 | TAS1R3 3582/4885TAS1R1 3715/4885ALDH1A1 157/4885 |
“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.