Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | RELA | Q04206 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.53 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.51 |
| ▸ | TUBB | P07437 | 1/20 | 0.51 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.51 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.51 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.51 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.51 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.51 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL24434557 | 0.82 | RELA (0.65) | CYP3A4CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL9967785 | 0.82 | RELA (0.65) | CYP3A4CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL31317665 | 0.80 | RELA (0.84) | RELACYP19A1NFE2L2CYP1A1CYP1A2 | |
| SCHEMBL700055 | 0.80 | RELA (0.84) | RELACYP19A1NFE2L2CYP1A1CYP1A2 | |
| SCHEMBL23158820 | 0.80 | RELA (0.84) | RELACYP19A1NFE2L2CYP1A1CYP1A2 | |
| SCHEMBL700056 | 0.80 | RELA (0.84) | RELACYP19A1NFE2L2CYP1A1CYP1A2 | |
| SCHEMBL9416019 | 0.79 | CYP3A4 (0.62) | CYP3A4CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL28450640 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL28450638 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL28207055 | 0.77 | RELA (0.67) | CYP3A4CYP2D6MAPTCYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0599265-A1 | Antibacterial, antifungal compound and its production method | Takeda Chemical Industries, Ltd. (JP) | 1994-06-01 | — | — | EP | disclosed |