Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | MCOLN2 | Q8IZK6 | 1/20 | 0.45 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.45 |
| ▸ | MCOLN1 | Q9GZU1 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4367542 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4ADORA3MCOLN2 | |
| SCHEMBL4401404 | 0.98 | TSHR (0.48) | ALDH1A1TSHRCYP3A4ADORA3MCOLN2 | |
| SCHEMBL30065513 | 0.86 | ALOX5 (0.46) | ALDH1A1MAOAMAOBHTTNPSR1 | |
| SCHEMBL11807856 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP3A4ADORA3HTT | |
| SCHEMBL3970619 | 0.81 | ALDH1A1 (0.72) | ALDH1A1TSHRCYP3A4ADORA3MCOLN2 | |
| SCHEMBL4624018 | 0.80 | TSHR (0.59) | ALDH1A1TSHRCYP3A4ADORA3HTT | |
| SCHEMBL14368963 | 0.79 | MAOA (0.43) | ALDH1A1TSHRADORA3MAOAMAOB | |
| SCHEMBL25318976 | 0.78 | MAOA (0.42) | ALDH1A1TSHRADORA3MAOAMAOB | |
| SCHEMBL6639675 | 0.77 | MAOA (0.43) | TSHRADORA3MAOAMAOBPOLB | |
| SCHEMBL16057394 | 0.77 | TSHR (0.61) | ALDH1A1TSHRCYP3A4ADORA3MCOLN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995028968-A1 | DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES | MONSANTO COMPANY (US) | 1995-11-02 | — | — | WO | disclosed |