Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1236226 | 1.00 | CYP2D6 (0.47) | CYP2D6CYP2C19CYP1A2PPARGPPARA | |
| SCHEMBL23120102 | 0.90 | CYP2D6 (0.56) | CYP2D6CYP2C19CYP1A2PPARGPPARA | |
| SCHEMBL11713290 | 0.90 | CYP2D6 (0.52) | CYP2D6CYP2C19CYP1A2ACEMEN1 | |
| SCHEMBL23120098 | 0.86 | CYP2D6 (0.42) | CYP2D6CYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL13128934 | 0.82 | CYP1A2 (0.47) | CYP2D6CYP2C19CYP1A2NOS1TSHR | |
| SCHEMBL14525778 | 0.82 | CYP2D6 (0.46) | CYP2D6CYP2C19CYP1A2PPARGPPARA | |
| SCHEMBL16302745 | 0.82 | CYP2D6 (0.50) | CYP2D6CYP2C19CYP1A2ACEMEN1 | |
| SCHEMBL29594381 | 0.82 | CYP1A2 (0.37) | CYP2D6CYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL23120116 | 0.82 | CYP1A2 (0.37) | CYP2D6CYP2C19CYP1A2MEN1KMT2A | |
| SCHEMBL9574275 | 0.81 | CYP2C19 (0.48) | CYP2D6CYP2C19CYP1A2PPARGPPARA |
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-5506267-A | IMMUNOADJUVANT FOR BONE MARROW CELL GROWTH AFTERTREATMENT OF CHEMOTHERAPY OR RADIOTHERAPY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-04-09 | — | — | US | disclosed |
| EP-0641776-A2 | Thioglycerol derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |