Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11752931 | 1.00 | KDM4E (0.55) | KDM4EGAALMNAL3MBTL1ALDH1A1 | |
| SCHEMBL11753179 | 0.93 | ALDH1A1 (0.60) | KDM4EGAALMNAALDH1A1CYP1A2 | |
| SCHEMBL11754948 | 0.93 | PTGS2 (0.50) | KDM4EGAALMNAL3MBTL1ALDH1A1 | |
| SCHEMBL11756117 | 0.86 | ALDH1A1 (0.50) | KDM4EGAALMNAL3MBTL1ALDH1A1 | |
| SCHEMBL11756042 | 0.86 | MAPT (0.56) | KDM4EGAALMNAL3MBTL1ALDH1A1 | |
| SCHEMBL11756348 | 0.86 | MEN1 (0.51) | KDM4EGAALMNAALDH1A1CYP1A2 | |
| SCHEMBL11754692 | 0.86 | ALDH1A1 (0.50) | KDM4EGAAALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL11752472 | 0.86 | ALDH1A1 (0.71) | KDM4EGAALMNAALDH1A1CYP1A2 | |
| SCHEMBL11751348 | 0.86 | PTGS2 (0.53) | KDM4EGAALMNAALDH1A1CYP1A2 | |
| SCHEMBL11749485 | 0.86 | MEN1 (0.51) | KDM4EGAALMNAALDH1A1CYP1A2 |
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 |