Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | METAP1 | P53582 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16293689 | 0.79 | CYP1A2 (0.43) | CYP1A2SIGMAR1HPGD | |
| SCHEMBL18781829 | 0.77 | — | — | |
| Methyl Alcohol SCHEMBL11401827 | 0.75 | CYP1A2 (0.43) | CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL10369680 | 0.73 | CYP1A2 (0.38) | CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL5696143 | 0.73 | HPGD (0.38) | CYP1A2HPGDMETAP1 | |
| SCHEMBL10369681 | 0.73 | CYP1A2 (0.38) | CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL10597909 | 0.72 | CYP1A2 (0.42) | CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL546421 | 0.72 | CYP1A2 (0.42) | CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL2501008 | 0.72 | CYP1A2 (0.42) | CYP1A2SIGMAR1HPGDMETAP1 | |
| SCHEMBL2494000 | 0.72 | CYP1A2 (0.42) | CYP1A2SIGMAR1HPGDMETAP1 |
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-1591437-B1 | Interleukin-1 and tumor necrosis factor-alpha modulators, syntheses of said modulators and methods of using said modulators | NEREUS PHARMACEUTICALS INC (US) | 2009-11-25 | — | — | EP | disclosed |