Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL5974468 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRATM | |
| SCHEMBL503151 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4TSHRATM | |
| SCHEMBL8992361 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4TSHRATM | |
| Fluoride SCHEMBL27919978 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRATM | |
| SCHEMBL5675630 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRATM | |
| SCHEMBL2686283 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRATM | |
| SCHEMBL387001 | 0.76 | — | — | |
| SCHEMBL3884493 | 0.76 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4TSHRATM | |
| SCHEMBL21435855 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRATM | |
| Water SCHEMBL9947734 | 0.73 | ALDH1A1 (0.65) | ALDH1A1TDP1CYP3A4TSHRATM |
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-7388100-B2 | Tertiary amine compounds | NISHIO TETSUYA | 2008-06-17 | — | — | US | disclosed |
| US-20060145145-A1 | Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same | NISHIO TETSUYA | 2006-07-06 | — | — | 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-20060145145-A1 | Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same | PIEZO1, YES1, SAT1 | ALDH1A1 592/4885TDP1 677/4885CYP3A4 3797/4885 |
“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.