Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | MAOB | P27338 | 4/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL28450139 | 1.00 | TSHR (0.78) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL28179939 | 1.00 | TSHR (0.78) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL14761846 | 1.00 | TSHR (0.78) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL528409 | 0.97 | TSHR (0.74) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL30317661 | 0.97 | TSHR (0.74) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL16950016 | 0.97 | TSHR (0.74) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL1021617 | 0.97 | TSHR (0.74) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL28261821 | 0.95 | TSHR (0.70) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL30929383 | 0.88 | TSHR (1.00) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL11044747 | 0.88 | — | — |
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-8173830-B2 | For example, reacting acetyene and benzoic acid or neodecanoic acid to make vinyl benzoate or vinyl neodecanoate respectively on industrial scale using a iridium, palladium, platinum, or rhodium complex catalyst with use of certain ligands and additives | CELANESE INTERNATIONAL CORPORATION (US) | 2012-05-08 | — | — | US | disclosed |
| US-20100286440-A1 | Vinyl Ester production from Acetylene and Carboxylic Acid utilizing homogeneous catalyst | CELANESE INTERNATIONAL CORPORATION (US) | 2010-11-11 | — | — | 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-20100286440-A1 | Vinyl Ester production from Acetylene and Carboxylic Acid utilizing homogeneous catalyst | ACACA, ACACB, ELL | TSHR 4445/4885MAOB 1823/4885MAOA 1510/4885 |
“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.