Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10513033 | 0.88 | CYP3A4 (0.51) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9719625 | 0.81 | HSP90AA1 (0.55) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL11284163 | 0.79 | KMT2A (0.66) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9719576 | 0.78 | KMT2A (0.68) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL9666411 | 0.77 | KMT2A (0.63) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| Water SCHEMBL11158440 | 0.76 | KMT2A (0.66) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL20338577 | 0.76 | ALDH1A1 (0.69) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL8057057 | 0.76 | CYP3A4 (0.59) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL7411162 | 0.76 | KMT2A (0.52) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 | |
| SCHEMBL10495524 | 0.75 | KMT2A (0.64) | CYP3A4ALDH1A1KMT2ACYP19A1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1381431-B1 | AROMATASE INHIBITION TO ENHANCE IMPLANTATION RATE | ARES TRADING SA (CH) | 2007-06-06 | — | — | EP | disclosed |