Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | MYC | P01106 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL16016173 | 0.84 | TAAR1 (0.42) | KAT2BMAPTTAAR1 | |
| SCHEMBL14088842 | 0.81 | ALDH1A1 (0.38) | KAT2BTAAR1P2RX7 | |
| SCHEMBL14024290 | 0.81 | KAT2B (0.35) | KAT2B | |
| SCHEMBL17771887 | 0.81 | ALDH1A1 (0.45) | ESR1ESR2KAT2BTRPA1ATM | |
| SCHEMBL28345433 | 0.78 | CYP1A2 (0.33) | KAT2BTAAR1CYP1A2CYP2A6 | |
| SCHEMBL23754928 | 0.78 | CYP1A2 (0.39) | KAT2BGAAMAPK1MCL1CYP1A2 | |
| SCHEMBL28312340 | 0.77 | KAT2B (0.47) | KAT2BMYCMCL1 | |
| SCHEMBL13762652 | 0.75 | KAT2B (0.40) | KAT2BMCL1 | |
| SCHEMBL13656742 | 0.75 | KAT2B (0.40) | KAT2BMCL1CYP1A2 | |
| SCHEMBL27528096 | 0.75 | TDP1 (0.53) | MAPTMAPK1HSD17B10 |
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-2802594-B1 | METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES | UDC IRELAND LTD (IE) | 2017-04-19 | — | — | EP | disclosed |