Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 9/20 | 0.33 |
| ▸ | CTSD | P07339 | 8/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.31 |
| ▸ | RARG | P13631 | 2/20 | 0.31 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9006905 | 0.88 | AKR1B1 (0.32) | AKR1B1RARBRARGCYP26A1CYP3A4 | |
| SCHEMBL5736955 | 0.86 | RARB (0.33) | BACE1RARBRARGCYP26A1CYP3A4 | |
| SCHEMBL5736909 | 0.80 | AKR1B1 (0.35) | AKR1B1BACE1CTSDSSTR5CYP26A1 | |
| SCHEMBL9180357 | 0.77 | RARB (0.60) | RARBRARGSSTR5CYP26A1CYP3A4 | |
| SCHEMBL5737195 | 0.77 | CYP26A1 (0.47) | AKR1B1RARBRARGSSTR5CYP26A1 | |
| SCHEMBL9175999 | 0.76 | AKR1B1 (0.32) | AKR1B1BACE1CTSDSSTR5 | |
| SCHEMBL5738447 | 0.75 | RARB (0.42) | AKR1B1RARBRARGSSTR5CYP26A1 | |
| SCHEMBL9024103 | 0.74 | KDM4E (0.38) | RARBRARGCYP26A1CYP3A4RARA | |
| SCHEMBL8875331 | 0.73 | AKR1B1 (0.40) | AKR1B1RARBRARGSSTR5CYP26A1 | |
| SCHEMBL8865723 | 0.73 | CYP3A4 (0.42) | AKR1B1BACE1CTSDRARBRARG |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7351737-B2 | 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity | ALLERGAN, INC. (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1485368-A1 | SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY | Allergan, Inc. (US) | 2004-12-15 | — | — | EP | disclosed |
| US-20040077721-A1 | Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A | ALLERGAN, INC. | 2004-04-22 | — | — | US | disclosed |
| US-20030207937-A1 | 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity | ALLERGAN, INC. | 2003-11-06 | — | — | US | disclosed |
| WO-2003080594-A1 | SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY | ALLERGAN, INC. (US) | 2003-10-02 | — | — | WO | 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 (2 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-20040077721-A1 | Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A | RARA, CYP2R1, RXRA | AKR1B1 109/4885BACE1 2572/4885CTSD 1300/4885 |
| US-20030207937-A1 | 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity | RXRA, RARA, CYP26A1 | AKR1B1 108/4885BACE1 3711/4885CTSD 3010/4885 |
“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.