Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11751459 | 0.92 | MAPK1 (0.57) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL11750595 | 0.92 | MAPK1 (0.57) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL11755846 | 0.91 | MDM2 (0.48) | CES2CES1MDM2ALDH1A1LMNA | |
| SCHEMBL11754522 | 0.91 | MDM2 (0.48) | CES2CES1MDM2ALDH1A1LMNA | |
| SCHEMBL11754374 | 0.91 | CES2 (0.58) | CES2CES1TSHRMDM2MEN1 | |
| SCHEMBL11757043 | 0.91 | MEN1 (0.44) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL11755351 | 0.91 | KMT2A (0.53) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL11754114 | 0.91 | KMT2A (0.53) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL11746499 | 0.91 | CES2 (0.58) | CES2CES1TSHRMDM2MEN1 | |
| SCHEMBL11748763 | 0.91 | MEN1 (0.44) | CES2CES1TSHRALOX15CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4051250-A | OXAZOLE, THIAZOLE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-27 | — | — | US | disclosed |
| US-3933840-A | ANTIPHLOGISTIC | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-20 | — | — | US | disclosed |