Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.30 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | PRKAB1 | Q9Y478 | 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 | |
|---|---|---|---|---|
| SCHEMBL28207201 | 0.80 | MAPT (0.34) | TDP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL24497808 | 0.72 | CCR1 (0.35) | TDP1KDM4EALDH1A1CYP1A2HDAC6 | |
| SCHEMBL31527644 | 0.71 | CCR1 (0.34) | TDP1KDM4EALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL20767152 | 0.69 | NOS3 (0.38) | CYP1A2 | |
| SCHEMBL31569231 | 0.67 | CSNK2A1 (0.34) | KDM4EALDH1A1MAPT | |
| SCHEMBL1591485 | 0.66 | SLC13A5 (0.40) | TDP1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL30391135 | 0.66 | AGBL2 (0.51) | TDP1KDM4EALDH1A1MAPTL3MBTL1 | |
| SCHEMBL25168224 | 0.66 | AGBL2 (0.51) | TDP1KDM4EALDH1A1MAPTL3MBTL1 | |
| SCHEMBL25465424 | 0.64 | ALOX5AP (0.33) | — | |
| SCHEMBL10703428 | 0.64 | CXCR4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022119888-A1 | 3-HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-06-09 | — | — | WO | disclosed |