Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 7/20 | 0.52 |
| ▸ | PTAFR | P25105 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL8046498 | 0.96 | TBXAS1 (0.50) | TBXAS1PTAFRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8059121 | 0.91 | FDPS (0.47) | TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7644315 | 0.87 | GRM2 (0.44) | TDP1 | |
| SCHEMBL8058455 | 0.83 | CYP1A2 (0.56) | TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8058495 | 0.77 | SMN1; SMN2 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8059153 | 0.77 | GRM2 (0.40) | L3MBTL1 | |
| SCHEMBL7639980 | 0.74 | GAA (0.41) | CYP3A4CYP2C19HIF1A | |
| Bicarbonate SCHEMBL9522433 | 0.73 | TBXAS1 (0.81) | TBXAS1PTAFRCHRNA7TDP1L3MBTL1 | |
| SCHEMBL7633968 | 0.73 | KIF11 (0.43) | CYP1A2CYP2C19HIF1ATDP1L3MBTL1 | |
| SCHEMBL4212946 | 0.72 | TBXAS1 (0.51) | TBXAS1PTAFRCYP1A2CYP3A4CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046180-A | NAALADase inhibitors | GUILFORD PHARMACEUTICALS INC. (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0936914-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-08-25 | — | — | EP | disclosed |
| EP-0936914-A4 | — | — | 1999-08-25 | — | — | EP | disclosed |
| WO-1997048400-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1997-12-24 | — | — | WO | disclosed |