Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5085651 | 0.77 | KCNN4 (0.46) | TAAR1KCNN4MAPTKMT2ACYP2C19 | |
| SCHEMBL42067 | 0.77 | KCNN4 (0.46) | TAAR1KCNN4MAPTKMT2ACYP2C19 | |
| SCHEMBL28065526 | 0.77 | KCNN4 (0.46) | TAAR1KCNN4MAPTKMT2ACYP2C19 | |
| SCHEMBL27367620 | 0.77 | CYP2C19 (0.46) | TAAR1MAPTKMT2ACYP2C19HIF1A | |
| SCHEMBL31590503 | 0.77 | SMN1; SMN2 (0.48) | TAAR1KMT2ACYP2C19HIF1AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28061497 | 0.76 | KCNN4 (0.44) | TAAR1KCNN4MAPTKMT2ACYP2C19 | |
| SCHEMBL8370180 | 0.76 | KCNN4 (0.44) | TAAR1KCNN4MAPTKMT2ACYP2C19 | |
| SCHEMBL2065498 | 0.75 | TAAR1 (0.52) | TAAR1MAPTKMT2ACYP2C19HIF1A | |
| SCHEMBL2790358 | 0.75 | TAAR1 (0.50) | TAAR1KCNN4CYP2C19HIF1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL326016 | 0.74 | SMN1; SMN2 (0.46) | TAAR1KCNN4KMT2ACYP2C19CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240400517-A1 | CHIRAL BIMETALLIC COOPERATIVE CATALYSIS SYSTEM AND USE THEREOF IN ASYMMETRIC SYNTHESIS OF BEDAQUILINE | SHANGHAI JIAO TONG UNIVERSITY (CN) | 2024-12-05 | — | — | US | disclosed |
| CN-116603570-A | Double-chiral metal synergistic catalytic system and application thereof in asymmetric synthesis of bedaquiline | 上海交通大学 | 2023-08-18 | — | — | CN | disclosed |
| WO-2023151700-A1 | DOUBLE-CHIRAL METAL COOPERATIVE CATALYSIS SYSTEM AND USE THEREOF IN ASYMMETRIC SYNTHESIS OF BEDAQUILINE | 上海交通大学 | 2023-08-17 | — | — | WO | 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-20240400517-A1 | CHIRAL BIMETALLIC COOPERATIVE CATALYSIS SYSTEM AND USE THEREOF IN ASYMMETRIC SYNTHESIS OF BEDAQUILINE | MAP2K4, MAP2K7, MAP2K5 | TAAR1 2531/4885KCNN4 183/4885MAPT 2386/4885 |
“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.