Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6645277 | 1.00 | CYP1A2 (0.56) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL21763585 | 0.87 | CYP1A2 (0.53) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL19954195 | 0.87 | CYP1A2 (0.53) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL10864606 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL30729674 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL13995941 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL13995928 | 0.85 | CYP1A2 (0.55) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL19334562 | 0.84 | CYP1A2 (0.58) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL104748 | 0.84 | CYP1A2 (0.62) | CYP1A2CYP2D6KMT2APKMALDH1A1 | |
| SCHEMBL9345944 | 0.83 | CYP1A2 (0.62) | CYP1A2CYP2D6KMT2APKMALDH1A1 |
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-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |