Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.37 |
| ▸ | RIOK2 | Q9BVS4 | 4/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CDC42 | P60953 | 1/20 | 0.36 |
| ▸ | RAC1 | P63000 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7846759 | 0.86 | CYP11B2 (0.43) | CYP17A1CYP1A2RAB9AMAPTCYP2C9 | |
| SCHEMBL5752670 | 0.75 | ABCB11 (0.42) | ABCB11RIOK2AKR1C3AKR1C2PTGS2 | |
| SCHEMBL5750067 | 0.72 | ABCB11 (0.43) | ABCB11RIOK2AKR1C3AKR1C2PTGS2 | |
| SCHEMBL5750801 | 0.69 | ABCB11 (0.51) | CYP17A1ABCB11RIOK2AKR1C3AKR1C2 | |
| SCHEMBL7840454 | 0.69 | RIOK2 (0.41) | ABCB11RIOK2AKR1C3AKR1C2PTGS2 | |
| SCHEMBL4828425 | 0.66 | AKR1C3 (0.54) | ABCB11RIOK2AKR1C3AKR1C2PTGS2 | |
| SCHEMBL4828431 | 0.66 | AKR1C3 (0.47) | CYP17A1ABCB11RIOK2AKR1C3AKR1C2 | |
| SCHEMBL7806036 | 0.64 | ABCB11 (0.46) | CYP17A1ABCB11RIOK2AKR1C3AKR1C2 | |
| SCHEMBL5751571 | 0.64 | CYP17A1 (0.45) | CYP17A1PDGFRBPDGFRACYP1A2 | |
| SCHEMBL31546885 | 0.64 | NPC1 (0.53) | CYP17A1CYP1A2RAB9ALMNAMAPT |
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-1073640-A1 | NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054309-A1 | NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-28 | — | — | WO | disclosed |