Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AHCY | P23526 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9795196 | 0.87 | DGAT1 (0.36) | BCHEPOLBHTTLMNAALDH1A1 | |
| SCHEMBL9795239 | 0.82 | POLB (0.48) | KMT2ASIGMAR1BCHETSHRPOLB | |
| SCHEMBL9795057 | 0.80 | EPHX2 (0.33) | BCHE | |
| SCHEMBL9498011 | 0.79 | KMT2A (0.49) | KMT2ACYP1A2CYP2D6CYP3A4SIGMAR1 | |
| SCHEMBL9795148 | 0.78 | KMT2A (0.43) | KMT2ACYP1A2CYP2D6CYP3A4SIGMAR1 | |
| SCHEMBL9795185 | 0.78 | KEAP1 (0.36) | BCHE | |
| Fumaric Acid SCHEMBL9795509 | 0.76 | POLB (0.43) | KMT2ASIGMAR1BCHETSHRPOLB | |
| SCHEMBL9795073 | 0.75 | TMEM97 (0.38) | KMT2ACYP2D6SIGMAR1GAASMN1; SMN2 | |
| SCHEMBL9795250 | 0.74 | CACNA1H (0.33) | BCHE | |
| SCHEMBL9795139 | 0.74 | CA12 (0.39) | KMT2ACYP2D6GAASMN1; SMN2ALDH1A1 |
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-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |