Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MMP14 | P50281 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9426915 | 1.00 | CES1 (0.50) | CES1CYP1A2CYP3A4HIF1ACA1 | |
| SCHEMBL14156089 | 1.00 | CES1 (0.50) | CES1CYP1A2CYP3A4HIF1ACA1 | |
| SCHEMBL15727530 | 0.86 | CYP1A2 (0.52) | CES1CYP1A2CYP3A4HIF1ACA1 | |
| SCHEMBL29483454 | 0.84 | CES1 (0.48) | CES1CYP1A2CYP3A4HIF1ACA1 | |
| SCHEMBL10881590 | 0.83 | MAPT (0.62) | CES1CYP1A2CYP3A4HIF1ATDP1 | |
| SCHEMBL10881599 | 0.83 | MAPT (0.62) | CES1CYP1A2CYP3A4HIF1ATDP1 | |
| SCHEMBL10881593 | 0.83 | MAPT (0.62) | CES1CYP1A2CYP3A4HIF1ATDP1 | |
| SCHEMBL11450372 | 0.83 | MAPT (0.62) | CES1CYP1A2CYP3A4HIF1ATDP1 | |
| SCHEMBL11450371 | 0.83 | MAPT (0.62) | CES1CYP1A2CYP3A4HIF1ATDP1 | |
| SCHEMBL3589274 | 0.80 | CYP1A2 (0.48) | CES1CYP1A2CYP3A4HIF1ACA1 |
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-0428939-B1 | Cumarin derivatives, process for their preparation, their use and thiazolylacetic acid derivatives as intermediate | BAYER AG (DE) | 1996-01-17 | — | — | EP | disclosed |
| US-5300656-A | Immunoassay | BAYER AKTIENGESELLSCHAFT (DE) | 1994-04-05 | — | — | US | disclosed |
| EP-0428939-A2 | Cumarin derivatives, process for their preparation, their use and thiazolylacetic acid derivatives as intermediate | BAYER AG (DE) | 1991-05-29 | — | — | EP | disclosed |