Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7572470 | 0.78 | NOS3 (0.55) | NOS3NOS2ALDH1A1KDM4EMAOA | |
| SCHEMBL11745466 | 0.77 | NOS3 (0.58) | NOS3NOS2ALDH1A1KDM4EMAOA | |
| SCHEMBL28328181 | 0.76 | KMT2A (0.31) | CES1CYP19A1 | |
| Hydrochloric Acid SCHEMBL11744315 | 0.75 | NOS3 (0.56) | NOS3NOS2ALDH1A1KDM4EMAOA | |
| SCHEMBL5128271 | 0.74 | NOS3 (0.55) | NOS3NOS2ALDH1A1KDM4EMAOA | |
| SCHEMBL21984859 | 0.72 | KDM4E (0.54) | NOS3NOS2ALDH1A1KDM4EMAOA | |
| SCHEMBL27937579 | 0.72 | NOS3 (0.45) | NOS3NOS2ALDH1A1KDM4EMAOA | |
| SCHEMBL25055314 | 0.69 | NOS3 (0.45) | NOS3NOS2ALDH1A1KDM4EMAOA | |
| Hydrochloric Acid SCHEMBL9374659 | 0.69 | GRIN2B (0.45) | NOS3NOS2ALDH1A1KDM4EMAPT | |
| SCHEMBL11749232 | 0.68 | GAA (0.58) | NOS3NOS2ALDH1A1KDM4EMAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105228996-B | Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors | 百时美施贵宝公司 | 2017-11-28 | — | — | CN | claimed |
| CN-106795118-B | Heterocyclic compound and their purposes as relevant orphan receptor (ROR) the GAMMA-T inhibitor of retinoids | 武田药品工业株式会社 | 2019-10-08 | — | — | CN | disclosed |
| CN-103987697-B | Substituted tetrahydroisoquinoline compounds as factor XIA inhibitors | 百时美施贵宝公司 | 2017-04-26 | — | — | CN | disclosed |