Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5348681 | 0.90 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| SCHEMBL3610181 | 0.86 | — | — | |
| SCHEMBL9017781 | 0.84 | TSHR (0.43) | TSHRALDH1A1 | |
| SCHEMBL16086604 | 0.80 | TSHR (0.40) | TSHRALDH1A1 | |
| SCHEMBL16086411 | 0.80 | TSHR (0.40) | TSHRALDH1A1 | |
| SCHEMBL16086439 | 0.78 | TSHR (0.39) | TSHRALDH1A1 | |
| SCHEMBL5352202 | 0.76 | LMNA (0.31) | TSHRCYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL2031559 | 0.76 | CYP3A4 (0.44) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL5347511 | 0.75 | TSHR (0.37) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16086187 | 0.74 | TSHR (0.39) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100432038-C | Method for producing nitrile compound, carboxylic acid compound or carboxylic ester compound | UBE INDUSTRIES (JP) | 2008-11-12 | — | — | CN | disclosed |
| US-7300953-B2 | Process for preparing nitrile compound, carboxylic acid compound or carboxylic acid ester compound | UBE INDUSTRIES, LTD (JP) | 2007-11-27 | — | — | US | disclosed |
| US-20060287541-A1 | Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran | UBE INDUSTRIES, LTD. (JP) | 2006-12-21 | — | — | US | disclosed |
| CN-1852885-A | Method for producing nitrile compound, carboxylic acid compound or carboxylic ester compound | UBE INDUSTRIES (JP) | 2006-10-25 | — | — | CN | disclosed |
| EP-1671937-A1 | METHOD FOR PRODUCING NITRILE COMPOUND, CARBOXYLIC ACID COMPOUND OR CARBOXYLATE COMPOUND | Ube Industries, Ltd. (JP) | 2006-06-21 | — | — | 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-20060287541-A1 | Subjecting a 4-substituted tetrahydropyran-4-carboxylic acid compound to to decarboxylation in the presence of a metal catalyst for producing 4-substituted tetrahydropyran | CBR1, ALDH18A1, ME1 | TSHR 1342/4885ALDH1A1 39/4885CYP3A4 6/4885 |
“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.