Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28926014 | 0.83 | CYP2D6 (0.58) | CYP2D6ATMSLC18A2MEN1ALDH1A1 | |
| SCHEMBL3247871 | 0.81 | ATM (0.58) | CYP2D6ATMSLC18A2MEN1ALDH1A1 | |
| SCHEMBL15888661 | 0.81 | TRPM8 (0.42) | MEN1HPGDKMT2AKDM1AACHE | |
| SCHEMBL3249871 | 0.79 | CYP2D6 (0.61) | CYP2D6ATMSLC18A2MEN1ALDH1A1 | |
| SCHEMBL22518332 | 0.78 | CYP2D6 (0.50) | CYP2D6ATMSLC18A2MEN1ALDH1A1 | |
| SCHEMBL14123884 | 0.76 | GBA1 (0.47) | KDM1A | |
| SCHEMBL19742442 | 0.76 | GBA1 (0.47) | KDM1A | |
| Cycloheptanamine SCHEMBL8093256 | 0.75 | SLC6A2 (0.46) | CYP2D6ATMSLC18A2SLC6A2SLC6A4 | |
| SCHEMBL6987962 | 0.75 | NPC1 (0.35) | ATMMEN1HPGDKMT2A | |
| SCHEMBL11354054 | 0.71 | CYP2D6 (0.62) | CYP2D6ATMMEN1ALDH1A1MAPT |
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-106029650-B | Tetrahydro-benzodiazepine * ketone | 豪夫迈·罗氏有限公司 | 2019-10-25 | — | — | CN | disclosed |