Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774948 | 1.00 | CYP2C9 (0.36) | CYP2C9ESR2SPHK1ALDH1A1MAPT | |
| SCHEMBL8774159 | 0.91 | SPHK1 (0.39) | CYP2C9ESR2SPHK1ALDH1A1MAPT | |
| SCHEMBL8774155 | 0.91 | SPHK1 (0.39) | CYP2C9ESR2SPHK1ALDH1A1MAPT | |
| SCHEMBL8774626 | 0.89 | SPHK1 (0.45) | CYP2C9SPHK1ALDH1A1MAPTLMNA | |
| SCHEMBL8774645 | 0.89 | SPHK1 (0.45) | CYP2C9SPHK1ALDH1A1MAPTLMNA | |
| SCHEMBL8774383 | 0.88 | SPHK1 (0.50) | CYP2C9SPHK1ALDH1A1MAPTLMNA | |
| SCHEMBL8774395 | 0.88 | SPHK1 (0.50) | CYP2C9SPHK1ALDH1A1MAPTLMNA | |
| SCHEMBL8774618 | 0.87 | SPHK1 (0.52) | SPHK1SPHK2 | |
| SCHEMBL8774604 | 0.87 | SPHK1 (0.52) | SPHK1SPHK2 | |
| SCHEMBL8774548 | 0.86 | CYP2C9 (0.43) | CYP2C9ESR2SPHK1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |