Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | NCF1 | P14598 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | GALR3 | O60755 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048648 | 0.91 | CYP1A2 (0.58) | CYP1A2NCF1SMN1; SMN2GALR3HTT | |
| SCHEMBL4048646 | 0.90 | CYP1A2 (0.56) | CYP1A2NCF1SMN1; SMN2GALR3HTT | |
| SCHEMBL3967736 | 0.89 | CYP1A2 (0.54) | CYP1A2NCF1SMN1; SMN2GALR3HTT | |
| SCHEMBL3966339 | 0.89 | CYP1A2 (0.54) | CYP1A2NCF1SMN1; SMN2GALR3HTT | |
| SCHEMBL3966342 | 0.89 | NCF1 (0.56) | CYP1A2NCF1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL3969728 | 0.86 | CYP1A2 (0.51) | CYP1A2NCF1SMN1; SMN2GALR3HTT | |
| SCHEMBL3964970 | 0.86 | CYP1A2 (0.51) | CYP1A2NCF1SMN1; SMN2GALR3HTT | |
| SCHEMBL3970382 | 0.86 | CYP1A2 (0.51) | CYP1A2NCF1RAB9AALDH1A1KDM4E | |
| SCHEMBL3967865 | 0.85 | ADAM17 (0.57) | CYP1A2SMN1; SMN2ALDH1A1KDM4EADAM17 | |
| SCHEMBL3964963 | 0.85 | CYP1A2 (0.50) | CYP1A2NCF1SMN1; SMN2GALR3HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003040103-A1 | β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-05-15 | — | — | WO | disclosed |