Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 6/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2653805 | 0.86 | HRH4 (0.38) | MAPK1ALDH1A1TDP1L3MBTL1HRH4 | |
| SCHEMBL23585375 | 0.81 | EGLN1 (0.35) | MAPK1ALDH1A1TDP1L3MBTL1HRH4 | |
| SCHEMBL4180414 | 0.77 | IDO1 (0.42) | MAPK1ALDH1A1TDP1L3MBTL1TSHR | |
| SCHEMBL4704298 | 0.77 | MAPK1 (0.43) | MAPK1ALDH1A1TDP1L3MBTL1HRH4 | |
| SCHEMBL640891 | 0.76 | SCN5A (0.41) | MAPK1ALDH1A1TDP1L3MBTL1HRH4 | |
| SCHEMBL15968924 | 0.74 | KDM4E (0.41) | TDP1HRH4ALPLTSHRMAOA | |
| SCHEMBL4573180 | 0.74 | KDM4E (0.41) | TDP1HRH4ALPLTSHRMAOA | |
| SCHEMBL425877 | 0.73 | EPHX2 (0.50) | MAPK1ALDH1A1TDP1L3MBTL1HRH4 | |
| SCHEMBL21381618 | 0.73 | KDM1A (0.43) | MAPK1ALDH1A1TDP1L3MBTL1HRH4 | |
| SCHEMBL2646645 | 0.73 | AR (0.43) | ALDH1A1L3MBTL1TSHRSLC6A4SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4313967-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |
| WO-2020040104-A1 | BICYCLIC HETEROAROMATIC RING DERIVATIVE | 杏林製薬株式会社 | 2020-02-27 | — | — | WO | disclosed |