Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL10285551 | 0.87 | TSHR (0.56) | TSHRKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL2793574 | 0.82 | RXFP1 (0.41) | TSHRKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL31202610 | 0.82 | PARG (0.48) | TSHRKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL31202548 | 0.81 | PARG (0.53) | TSHRHSD17B10CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL1050766 | 0.81 | TSHR (0.57) | TSHRKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL30898290 | 0.75 | TSHR (0.57) | TSHRKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL29212238 | 0.75 | TSHR (0.57) | TSHRKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL14279771 | 0.74 | ALDH1A1 (0.46) | TSHRKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL434663 | 0.73 | KDM4E (0.50) | TSHRKDM4EALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL3995430 | 0.71 | HTR6 (0.52) | TSHRKDM4EALDH1A1CYP1A2CYP2C9 |
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-2468743-A1 | Nitrogen-containing bicyclic compounds useful as antibacterial agents | Toyama Chemical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |