Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP4 | P49662 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP9 | P55211 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 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 | |
|---|---|---|---|---|
| SCHEMBL8085303 | 0.89 | CHRM2 (0.34) | TDP1CYP3A4ALDH1A1CHRM2HTR1A | |
| SCHEMBL8085257 | 0.88 | MEN1 (0.34) | TDP1CYP3A4ALDH1A1CHRM2HTR1A | |
| SCHEMBL8084458 | 0.88 | TDP1 (0.34) | TDP1CYP3A4ALDH1A1TSHRCHRM2 | |
| SCHEMBL8090154 | 0.85 | TDP1 (0.34) | TDP1CYP3A4ALDH1A1TSHRCHRM2 | |
| SCHEMBL8084409 | 0.84 | ALDH1A1 (0.35) | TDP1CYP3A4ALDH1A1CHRM2HTR1A | |
| SCHEMBL8077039 | 0.83 | ALDH1A1 (0.36) | TDP1CYP3A4ALDH1A1TSHRCASP3 | |
| SCHEMBL8084934 | 0.82 | CFTR (0.38) | TDP1ALDH1A1HTTKMT2ACYP1A2 | |
| SCHEMBL8088693 | 0.81 | PDE7A (0.33) | TDP1CYP3A4ALDH1A1CHRM2HTR1A | |
| SCHEMBL8077281 | 0.81 | PDE4A (0.42) | CASP3MALT1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8085338 | 0.81 | KMT2A (0.38) | TDP1CYP3A4ALDH1A1TSHRCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6153627-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-28 | — | — | US | disclosed |
| US-6040308-A | Chroman derivatives | MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-03-21 | — | — | US | disclosed |
| EP-0273262-A2 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |