Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.73 |
| ▸ | TNF | P01375 | 4/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.73 |
| ▸ | ACHE | P22303 | 2/20 | 0.73 |
| ▸ | PDE4A | P27815 | 2/20 | 0.73 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.73 |
| ▸ | USP2 | O75604 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.73 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.73 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.73 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.73 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.57 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.57 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11301985 | 0.89 | ADORA2B (0.79) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL25673491 | 0.89 | ADORA2B (0.79) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL5412111 | 0.87 | ADORA2B (0.81) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Bisdionin D SCHEMBL16120988 | 0.87 | ADORA2B (0.79) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL10522005 | 0.86 | ADORA2B (0.79) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL16120981 | 0.85 | ADORA2B (0.77) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Pentoxifylline SCHEMBL3986204 | 0.85 | ADORA2B (1.00) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Pentoxifylline SCHEMBL34039 | 0.85 | ADORA2B (1.00) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL18255987 | 0.85 | ADORA2B (0.81) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| SCHEMBL11300380 | 0.84 | ADORA2B (0.71) | ADORA2BTNFLMNACYP1A2NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-57088177-A | — | — | None | — | — | JP | disclosed |
| JP-S5788177-A | THEOBROMINE DERIVATIVE AND ITS PREPARATION | SAGAMI CHEM RES CENTER | 1982-06-01 | — | — | JP | disclosed |