Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ARG2 | P78540 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL219668 | 0.88 | CA1 (0.56) | CA1CA2TP53TSHRTRPA1 | |
| Ethylene Glycol SCHEMBL8392416 | 0.81 | CA1 (0.50) | CA1CA2LMNATP53TSHR | |
| Phenethylboronic Acid SCHEMBL29219406 | 0.81 | CA1 (0.76) | CA1CA2ARG2TDP1 | |
| Benzyl Alcohol SCHEMBL29132362 | 0.80 | TSHR (0.61) | CA1CA2SLC6A2TAAR1CYP2C19 | |
| Benzyl Bromide SCHEMBL28160537 | 0.78 | ALDH1A1 (0.58) | CA1CA2SLC6A2TAAR1CYP2C19 | |
| Pyridine SCHEMBL1581039 | 0.77 | CA1 (0.46) | CA1CA2SLC6A2CYP2C19CYP1A2 | |
| SCHEMBL670441 | 0.77 | LIPE (0.35) | CA1CA2SLC6A2TAAR1CYP2C19 | |
| SCHEMBL28433271 | 0.76 | CA1 (0.45) | CA1CA2CYP2C19CYP1A2TSHR | |
| SCHEMBL29253807 | 0.75 | LIPE (0.44) | CA1CA2SLC6A2TAAR1CYP2C19 | |
| Isobutylbenzene SCHEMBL29065698 | 0.75 | TRPA1 (0.46) | SLC6A2TAAR1CYP2C9LMNACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117945995-A | Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof | 中国科学院青海盐湖研究所 | 2024-04-30 | — | — | CN | disclosed |
| US-20230272002-A1 | PHOTOREDOX PROTEIN MODIFICATION | THE ROSALIND FRANKLIN INSTITUTE (GB) | 2023-08-31 | — | — | 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-20230272002-A1 | PHOTOREDOX PROTEIN MODIFICATION | PPOX, CACYBP, BRI3BP | CA1 1284/4885CA2 598/4885SLC6A2 4329/4885 |
“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.