Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | ADORA2B | P29275 | 13/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8128166 | 1.00 | MEN1 (0.67) | MEN1LMNACYP1A1CYP1A2CYP3A4 | |
| SCHEMBL8128164 | 1.00 | MEN1 (0.67) | MEN1LMNACYP1A1CYP1A2CYP3A4 | |
| Furafylline SCHEMBL191214 | 0.81 | MEN1 (1.00) | MEN1LMNACYP1A1CYP1A2CYP3A4 | |
| SCHEMBL681895 | 0.79 | ADORA2A (0.47) | LMNACYP1A2CYP3A4NFKB1MAPK1 | |
| SCHEMBL6345924 | 0.79 | ADORA2A (0.47) | LMNACYP1A2CYP3A4NFKB1MAPK1 | |
| SCHEMBL8128491 | 0.78 | PDE2A (0.54) | MEN1LMNACYP1A1CYP1A2CYP3A4 | |
| SCHEMBL8126523 | 0.78 | PDE2A (0.54) | MEN1LMNACYP1A1CYP1A2CYP3A4 | |
| SCHEMBL8126108 | 0.78 | PDE2A (0.54) | MEN1LMNACYP1A1CYP1A2CYP3A4 | |
| SCHEMBL9429916 | 0.73 | PDE2A (0.53) | CYP1A2CYP3A4MAPK1PMP22ADORA2B | |
| SCHEMBL8142359 | 0.72 | MEN1 (0.67) | MEN1LMNACYP1A1CYP1A2CYP3A4 |
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-6075029-A | Xanthine modulators of metabolism of cellular P-450 | CELL THERAPEUTICS, INC. (US) | 2000-06-13 | — | — | US | disclosed |
| WO-1999035148-A1 | COMPOUNDS FOR INCREASED BIOAVAILABILITY | CELL THERAPEUTICS, INC. (US) | 1999-07-15 | — | — | WO | disclosed |