Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.77 |
| ▸ | HPGD | P15428 | 2/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.77 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.77 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.77 |
| ▸ | ABAT | P80404 | 1/20 | 0.77 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.77 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.56 |
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | TYR | P14679 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Vanillin SCHEMBL29787161 | 1.00 | ALDH1A1 (0.77) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL1213 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL720723 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL29354839 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Isovanillin SCHEMBL704359 | 0.86 | ALDH1A1 (0.77) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL4442606 | 0.85 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL11269339 | 0.85 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL20549709 | 0.85 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL19411839 | 0.85 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL8853913 | 0.85 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 |
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-8575221-B2 | Derivatives of dimethylcurcumin | CONCERT PHARMACEUTICALS, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-8198305-B2 | 1-(4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxy-d3-phenyl)ethanone substituted with deuterium ions; antipsycholtic agent | CONCERT PHARMACEUTICALS INC. (US) | 2012-06-12 | — | — | US | disclosed |
| US-20110257271-A1 | DERIVATIVES OF DIMETHYLCURCUMIN | CONCERT PHARMACEUTICALS, INC. | 2011-10-20 | — | — | US | disclosed |
| WO-2011116066-A1 | DERIVATIVES OF DIMETHYLCURCUMIN | CONCERT PHARMACEUTICALS, INC. (US) | 2011-09-22 | — | — | WO | disclosed |
| US-20080255194-A1 | 1,2-Benzisoxazol-3-yl Compounds | CONCERT PHARMACEUTICALS INC. (US) | 2008-10-16 | — | — | 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 (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-20110257271-A1 | DERIVATIVES OF DIMETHYLCURCUMIN | UROD, UGT1A1, UGT1A3 | ALDH1A1 319/4885HPGD 1203/4885TDP1 1751/4885 |
| US-20080255194-A1 | 1,2-Benzisoxazol-3-yl Compounds | HTR5A, HTR1A, HTR3A | ALDH1A1 613/4885HPGD 1631/4885TDP1 1585/4885 |
“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.