Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5597661 | 1.00 | TRPA1 (0.54) | TRPA1CYP1A2EPHX1TSHRALPI | |
| SCHEMBL30657566 | 0.85 | EPHX1 (0.55) | TRPA1CYP1A2EPHX1ALPIPKM | |
| SCHEMBL5001745 | 0.81 | EPHX1 (0.52) | CYP1A2EPHX1ALPIPKMPTGS1 | |
| SCHEMBL4679591 | 0.81 | EPHX1 (0.52) | CYP1A2EPHX1ALPIPKMPTGS1 | |
| SCHEMBL26497007 | 0.78 | EPHX1 (0.48) | TRPA1CYP1A2EPHX1ALPIPKM | |
| SCHEMBL1665737 | 0.78 | EPHX1 (0.48) | CYP1A2EPHX1OPRM1KCNH2SLC6A2 | |
| SCHEMBL6880807 | 0.77 | TDP1 (0.50) | TRPA1TSHRTDP1GRIN2BANPEP | |
| SCHEMBL6880811 | 0.77 | TDP1 (0.50) | TRPA1TSHRTDP1GRIN2BANPEP | |
| SCHEMBL28749751 | 0.76 | EPHX1 (0.46) | TRPA1CYP1A2EPHX1ALPIPKM | |
| SCHEMBL21677972 | 0.76 | TRPA1 (0.50) | TRPA1EPHX1OPRM1KCNH2SLC6A2 |
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-7265249-B2 | Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2007-09-04 | — | — | US | disclosed |
| US-20060189830-A1 | Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2006-08-24 | — | — | 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-20060189830-A1 | Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts | ALDH3A1, ALDH1A1, POLL | TRPA1 2121/4885CYP1A2 1377/4885EPHX1 436/4885 |
“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.