Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9522067 | 0.83 | SIGMAR1 (0.64) | CYP2D6SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23330352 | 0.83 | CYP2D6 (0.54) | CYP1A2KMT2ACYP2D6MEN1TSHR | |
| SCHEMBL13995506 | 0.82 | CYP1A2 (0.50) | CYP1A2KMT2ACYP2D6MEN1TSHR | |
| SCHEMBL354251 | 0.80 | MMP9 (0.47) | CYP1A2KMT2ACYP2D6MEN1TSHR | |
| SCHEMBL10232086 | 0.80 | MMP9 (0.47) | CYP1A2KMT2ACYP2D6MEN1TSHR | |
| SCHEMBL354252 | 0.80 | MMP9 (0.47) | CYP1A2KMT2ACYP2D6MEN1TSHR | |
| SCHEMBL13676409 | 0.79 | CYP3A4 (0.63) | CYP1A2KMT2ACYP2D6MEN1CALM1 | |
| SCHEMBL3384080 | 0.79 | CYP3A4 (0.63) | CYP1A2KMT2ACYP2D6MEN1CALM1 | |
| SCHEMBL13290808 | 0.78 | CYP2D6 (0.53) | CYP1A2KMT2ACYP2D6MEN1TSHR | |
| SCHEMBL11865234 | 0.78 | CYP2D6 (0.50) | CYP1A2KMT2ACYP2D6MEN1TSHR |
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 |