Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 2/20 | 0.40 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 4/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | GRK5 | P34947 | 1/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047790 | 0.82 | GRIA1 (0.40) | GRIA1CACNG8SRCCYP2A6CYP1A2 | |
| SCHEMBL20072696 | 0.82 | GRIA1 (0.47) | GRIA1CACNG8SRCCYP2A6CYP1A2 | |
| SCHEMBL15636868 | 0.77 | TTR (0.38) | CYP1A2MEN1ALDH1A1KMT2A | |
| SCHEMBL2990875 | 0.77 | SRC (0.41) | GRIA1CACNG8SRCCYP2A6CYP1A2 | |
| SCHEMBL4448776 | 0.77 | AHR (0.46) | GRIA1CACNG8SRCCYP2A6CYP1A2 | |
| SCHEMBL8050742 | 0.77 | GRIA1 (0.44) | GRIA1CACNG8SRCCYP1A2FGFR1 | |
| SCHEMBL3873202 | 0.76 | AHR (0.42) | CYP2A6CYP1A2AHRCNR1TSHR | |
| SCHEMBL15635852 | 0.76 | GRIA1 (0.41) | GRIA1CACNG8SRCCYP2A6CYP1A2 | |
| SCHEMBL4453583 | 0.75 | AHR (0.64) | GRIA1CACNG8SRCCYP2A6CYP1A2 | |
| SCHEMBL15637371 | 0.74 | CYP2A6 (0.56) | CYP2A6TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011063223-A1 | TETRAHYDRO-β-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF | SOUTHERN RESEARCH INSTITUTE (US) | 2011-05-26 | — | — | WO | disclosed |