Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CCR1 | P32246 | 2/20 | 0.33 |
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | CCR8 | P51685 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24497809 | 0.80 | TDP1 (0.32) | MAPTL3MBTL1TDP1CYP1A2CYP2D6 | |
| SCHEMBL24497808 | 0.79 | CCR1 (0.35) | TDP1CYP1A2CCR1CCR5CCR8 | |
| SCHEMBL31527644 | 0.78 | CCR1 (0.34) | MAPTL3MBTL1TDP1CYP1A2CCR1 | |
| Hydrochloric Acid SCHEMBL20767152 | 0.76 | NOS3 (0.38) | CYP1A2CCR1CCR5CCR8NOS3 | |
| SCHEMBL31569231 | 0.73 | CSNK2A1 (0.34) | MAPTCCR1CCR5CCR8NOS3 | |
| SCHEMBL25168224 | 0.72 | AGBL2 (0.51) | MAPTL3MBTL1TDP1KDM4EALDH1A1 | |
| SCHEMBL30391135 | 0.72 | AGBL2 (0.51) | MAPTL3MBTL1TDP1KDM4EALDH1A1 | |
| SCHEMBL10703428 | 0.71 | CXCR4 (0.36) | NOS3NOS1NOS2 | |
| SCHEMBL762914 | 0.69 | — | — | |
| SCHEMBL31180717 | 0.69 | — | — |
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-110177551-A | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V生物科学股份有限公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-105001225-B | The heterocyclic modulators of lipid synthesis | 3-V 生物科学公司 | 2018-04-06 | — | — | CN | disclosed |