Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 9/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HEXA | P06865 | 1/20 | 0.40 |
| ▸ | HEXB | P07686 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21001760 | 0.86 | KIF11 (0.48) | KIF11ALDH1A1TSHRMAOBHEXA | |
| SCHEMBL31409757 | 0.86 | KIF11 (0.48) | KIF11ALDH1A1TSHRMAOBHEXA | |
| SCHEMBL28248236 | 0.84 | KIF11 (0.46) | KIF11ALDH1A1TSHRMAOB | |
| SCHEMBL20769886 | 0.82 | KIF11 (0.48) | KIF11HEXAHEXBNISCH | |
| SCHEMBL17711075 | 0.82 | KIF11 (0.53) | KIF11ALDH1A1 | |
| SCHEMBL4159679 | 0.81 | TTR (0.32) | — | |
| SCHEMBL27256051 | 0.80 | KIF11 (0.53) | KIF11ALDH1A1TSHRBACE1TRPV6 | |
| SCHEMBL12762364 | 0.78 | KIF11 (0.46) | KIF11ALDH1A1TSHRMAOBNISCH | |
| SCHEMBL197238 | 0.78 | KIF11 (0.78) | KIF11ALDH1A1TSHRMAOBCES2 | |
| SCHEMBL29914837 | 0.78 | KIF11 (0.78) | KIF11ALDH1A1TSHRMAOBCES2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429259-B | Fluorine-containing compound and application thereof | 中国科学院上海有机化学研究所 | 2023-03-24 | — | — | CN | disclosed |
| US-8952207-B2 | Copper-catalyzed C—H bond arylation | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2015-02-10 | — | — | US | disclosed |
| US-8952207-B2 | Copper-catalyzed C—H bond arylation | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2015-02-10 | — | — | US | disclosed |
| US-8952207-B2 | Copper-catalyzed C—H bond arylation | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2015-02-10 | — | — | US | disclosed |
| US-20090076266-A1 | COPPER-CATALYZED C-H BOND ARYLATION | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2009-03-19 | — | — | US | disclosed |
| US-20090076266-A1 | COPPER-CATALYZED C-H BOND ARYLATION | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2009-03-19 | — | — | US | disclosed |
| US-20090076266-A1 | COPPER-CATALYZED C-H BOND ARYLATION | THE UNIVERSITY OF HOUSTON SYSTEM (US) | 2009-03-19 | — | — | 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-20090076266-A1 | COPPER-CATALYZED C-H BOND ARYLATION | AOC2, AOC3, DBH | KIF11 1251/4885ALDH1A1 44/4885TSHR 3189/4885 |
“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.