Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL27266989 | 0.98 | KIF11 (0.45) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| Pyrrole SCHEMBL27865761 | 0.97 | KIF11 (0.44) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| Pyrrole SCHEMBL28097212 | 0.97 | KIF11 (0.44) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| Piperazine SCHEMBL28106719 | 0.93 | KIF11 (0.41) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| Hydrogen Sulfide SCHEMBL27325247 | 0.91 | HPRT1 (0.52) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| Pyrrole SCHEMBL28177497 | 0.90 | KIF11 (0.40) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| Pyrrole SCHEMBL27416005 | 0.90 | KIF11 (0.40) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| Ammonia Solution, Strong SCHEMBL27464762 | 0.89 | HPRT1 (0.50) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| SCHEMBL2089665 | 0.89 | HPRT1 (0.54) | KIF11HPRT1ALDH1A1CYP1A2LCK | |
| SCHEMBL30928215 | 0.89 | HPRT1 (0.54) | KIF11HPRT1ALDH1A1CYP1A2LCK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108391434-A | MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES | 百时美施贵宝公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-105263932-B | Heterocyclic compound | 武田药品工业株式会社 | 2018-01-09 | — | — | CN | disclosed |