Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 3/20 | 0.57 |
| ▸ | BCHE | P06276 | 6/20 | 0.53 |
| ▸ | ACHE | P22303 | 6/20 | 0.53 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 4/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9360948 | 0.89 | THRA (0.67) | THRATHRBESR1PLA2G4BDHFR | |
| SCHEMBL9360139 | 0.87 | BCHE (0.65) | THRATHRBBCHEACHEMAOB | |
| SCHEMBL9360214 | 0.79 | ESR1 (0.56) | THRATHRBESR1BCHEACHE | |
| Dietifen SCHEMBL2109562 | 0.79 | NPC1 (0.62) | ESR1BCHEACHE | |
| SCHEMBL11719798 | 0.77 | KMT2A (0.55) | THRATHRBESR1PLA2G4BMAOB | |
| SCHEMBL4299737 | 0.77 | KMT2A (0.70) | ESR1PLA2G4BMAOB | |
| SCHEMBL7166019 | 0.76 | RAB9A (0.69) | — | |
| SCHEMBL11729219 | 0.76 | ESR1 (0.59) | THRATHRBESR1MAOB | |
| SCHEMBL9360115 | 0.75 | EGFR (0.63) | THRATHRBBCHEACHE | |
| SCHEMBL9360111 | 0.75 | THRA (0.60) | THRATHRBBCHEACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0410359-B1 | Substituted aminoalkoxy-benzene-derivatives | HOFFMANN LA ROCHE (CH) | 1994-01-26 | — | — | EP | disclosed |
| US-5214046-A | Synergistic mixtures, inhibitors of sterol biosynthesis | HOFFMANN-LA ROCHE INC. (US) | 1993-05-25 | — | — | US | disclosed |
| US-5106878-A | Synergistic effects with other fungicides | HOFFMANN-LA ROCHE INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0410359-A1 | Substituted aminoalkoxy-benzene-derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-30 | — | — | EP | disclosed |