Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 6/20 | 0.51 |
| ▸ | GABBR1 | Q9UBS5 | 6/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL523877 | 0.87 | GABBR2 (0.59) | GABBR2GABBR1CYP2C9LMNACYP2C19 | |
| SCHEMBL5273737 | 0.83 | GABBR2 (0.42) | GABBR2GABBR1 | |
| SCHEMBL7031963 | 0.82 | GABBR2 (0.74) | GABBR2GABBR1CYP2C9LMNACYP2C19 | |
| SCHEMBL22172484 | 0.81 | GABBR2 (0.72) | GABBR2GABBR1CYP2C9LMNACYP2C19 | |
| SCHEMBL12883209 | 0.81 | GABBR2 (0.53) | GABBR2GABBR1CYP2C9LMNACYP2C19 | |
| SCHEMBL7822991 | 0.81 | GABBR2 (0.72) | GABBR2GABBR1CYP2C9LMNACYP2C19 | |
| SCHEMBL5801572 | 0.79 | EPHX1 (0.58) | GABBR2GABBR1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11298234 | 0.79 | SLC6A4 (0.48) | CYP2C9CYP2C19CYP1A2CYP2D6SLC6A4 | |
| SCHEMBL16439493 | 0.78 | GABBR2 (0.58) | GABBR2GABBR1CYP2C9LMNACYP2C19 | |
| Hydrochloric Acid SCHEMBL7314689 | 0.77 | EPHX1 (0.56) | GABBR2GABBR1CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004103278-A2 | ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-02 | — | — | WO | claimed |
| WO-2004103278-A2 | ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-02 | — | — | WO | disclosed |
| WO-2004004657-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-15 | — | — | WO | disclosed |