Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720395 | 0.79 | CA1 (0.41) | SIGMAR1TDP1HRH3CA1CA2 | |
| SCHEMBL6729320 | 0.76 | TSHR (0.36) | SIGMAR1HRH3CA1CA2CA9 | |
| SCHEMBL31187955 | 0.72 | MAOA (0.45) | SIGMAR1CA1CA2CA9IDO1 | |
| SCHEMBL5164870 | 0.70 | FFAR4 (0.47) | TDP1NPC1SLC6A3 | |
| SCHEMBL5722434 | 0.70 | MEN1 (0.43) | ALDH1A1 | |
| SCHEMBL11758570 | 0.69 | MAOA (0.35) | CA1CA2CA9IDO1NPC1 | |
| SCHEMBL28312015 | 0.69 | IDO1 (0.46) | SIGMAR1HRH3IDO1NPC1RAB9A | |
| Cyclooctane SCHEMBL18187569 | 0.68 | SIGMAR1 (0.58) | SIGMAR1TDP1ALDH1A1MAOAMAOB | |
| SCHEMBL31187942 | 0.68 | TDP1 (0.46) | TDP1CA1CA2CA9NPC1 | |
| SCHEMBL27677030 | 0.68 | LTA4H (0.39) | GAASLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040049049-A1 | Stereoselective synthesis of 1,2-disubstituted cycloalkyls | JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. | 2004-03-11 | — | — | 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-20040049049-A1 | Stereoselective synthesis of 1,2-disubstituted cycloalkyls | CYP8B1, AGTR1, AGTR2 | SIGMAR1 2303/4885TDP1 2212/4885HRH3 640/4885 |
“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.