Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 4/20 | 0.45 |
| ▸ | CCND1 | P24385 | 4/20 | 0.45 |
| ▸ | NCF1 | P14598 | 3/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048580 | 0.85 | CYP1A2 (0.41) | CYP1A2NCF1KMT2A | |
| SCHEMBL3969617 | 0.83 | CYP1A2 (0.41) | CYP1A2NCF1HTR6KMT2A | |
| SCHEMBL3969618 | 0.83 | NCF1 (0.49) | CYP1A2NCF1HTR6HPGDKMT2A | |
| SCHEMBL3967741 | 0.82 | ERBB2 (0.40) | CYP1A2NCF1KMT2A | |
| SCHEMBL3967744 | 0.82 | NPC1 (0.44) | CYP1A2NCF1KMT2A | |
| SCHEMBL3966942 | 0.78 | SMN1; SMN2 (0.46) | KMT2A | |
| SCHEMBL3970337 | 0.78 | NCF1 (0.53) | CYP1A2NCF1HPGDKMT2A | |
| SCHEMBL5404925 | 0.78 | CYP1A2 (0.44) | CYP1A2NCF1 | |
| SCHEMBL28378614 | 0.77 | CDK4 (0.45) | CYP1A2CDK4CCND1HTR6HPGD | |
| SCHEMBL5404930 | 0.77 | CYP1A2 (0.43) | CYP1A2NCF1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7294624-B2 | Osteoporosis; antiarthritic agents | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-11-13 | — | — | US | disclosed |
| CN-1481377-A | Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteinases and TNF-alpha | ����˹�ж�-����˹˹����ҩƷ��˾ | 2004-03-10 | — | — | CN | disclosed |
| WO-2003053941-A2 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-03 | — | — | WO | disclosed |