Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 5/20 | 0.36 |
| ▸ | DRD3 | P35462 | 5/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | HTR2A | P28223 | 4/20 | 0.34 |
| ▸ | HRH1 | P35367 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9821405 | 1.00 | KMT2A (0.41) | KMT2AKCNH2SIGMAR1MAPTHTT | |
| SCHEMBL9821568 | 0.71 | ESR1 (0.40) | KMT2AALDH1A1LMNA | |
| SCHEMBL9821394 | 0.69 | MAPT (0.44) | KMT2AMAPTHTTTSHRALDH1A1 | |
| SCHEMBL9821498 | 0.69 | MAPT (0.44) | KMT2AMAPTHTTTSHRALDH1A1 | |
| Propane SCHEMBL9821512 | 0.67 | CYP19A1 (0.35) | KMT2AMAPTSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL6204121 | 0.67 | LMNA (0.64) | MAPTSMN1; SMN2LMNATP53 | |
| SCHEMBL6326562 | 0.67 | LMNA (0.64) | MAPTSMN1; SMN2LMNATP53 | |
| SCHEMBL9821386 | 0.65 | CYP19A1 (0.34) | KMT2AALDH1A1LMNA | |
| SCHEMBL10363547 | 0.65 | CYP19A1 (0.34) | KMT2AALDH1A1LMNA | |
| SCHEMBL10465846 | 0.64 | MAPT (0.53) | MAPTHTTTSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5041458-A | Fungicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-08-20 | — | — | US | disclosed |
| EP-0349580-A1 | FUNGICIDAL AMINOTRIAZOLES AND AMINOIMIDAZOLES. | DU PONT (US) | 1990-01-10 | — | — | EP | disclosed |
| WO-1988007040-A1 | FUNGICIDAL AMINOTRIAZOLES AND AMINOIMIDAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-09-22 | — | — | WO | disclosed |
| EP-0283245-A1 | Fungicidal aminotriazoles and aminoimidazoles | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-09-21 | — | — | EP | disclosed |