Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL21694409 | 1.00 | HTR6 (0.40) | HTR6MAOACES1MAOBBCHE | |
| SCHEMBL8053792 | 0.76 | CES1 (0.43) | MAOACES1MAOBCYP2A6TSHR | |
| SCHEMBL9625185 | 0.76 | ALDH1A1 (0.46) | CES1BCHETSHRKDM4EALDH1A1 | |
| SCHEMBL4448887 | 0.72 | HTR6 (0.41) | HTR6MAOACES1MAOBBCHE | |
| SCHEMBL7960264 | 0.72 | HTR6 (0.41) | HTR6MAOACES1MAOBBCHE | |
| SCHEMBL17293186 | 0.72 | HTR6 (0.35) | HTR6MAOACES1 | |
| SCHEMBL9441562 | 0.70 | CYP3A4 (0.54) | HTR6NOS3NOS2NPC1RAB9A | |
| SCHEMBL308272 | 0.70 | HTR6 (0.40) | HTR6MAOACES1MAOBBCHE | |
| SCHEMBL4448883 | 0.70 | HTR6 (0.40) | HTR6MAOACES1MAOBBCHE | |
| SCHEMBL12743937 | 0.70 | HTR6 (0.44) | HTR6MAOACES1MAOBBCHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551839-A | Heteroaryl-triazole compounds as pesticides | 拜耳公司 | 2022-12-30 | — | — | CN | disclosed |