Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PTPRC | P08575 | 3/20 | 0.38 |
| ▸ | S100A4 | P26447 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8085035 | 0.86 | ALDH1A1 (0.38) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL8090151 | 0.84 | ALDH1A1 (0.36) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL8128550 | 0.84 | ALDH1A1 (0.36) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL10695563 | 0.84 | CA9 (0.36) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL8090699 | 0.84 | ALDH1A1 (0.37) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL9735809 | 0.84 | MEN1 (0.35) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL8090555 | 0.84 | TDP1 (0.37) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL8085305 | 0.83 | ALDH1A1 (0.36) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL8077039 | 0.83 | ALDH1A1 (0.36) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL10697020 | 0.83 | ALDH1A1 (0.36) | ALDH1A1PTPRCS100A4BCHEACHE |
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 6 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 |
| US-5391751-A | Hypotensive, antiarrhythmia, antiasthmatic agents | RED BALLOON INVESTMENT LIMITED (JE) | 1995-02-21 | — | — | US | disclosed |
| US-5387587-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-07 | — | — | US | disclosed |
| EP-0346724-A1 | Chroman derivates | MERCK PATENT GmbH (DE) | 1989-12-20 | — | — | EP | disclosed |
| EP-0273262-A2 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |