Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | AMPD3 | Q01432 | 1/20 | 0.38 |
| ▸ | CCR9 | P51686 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5053174 | 0.81 | SMN1; SMN2 (0.47) | CYP1A2CYP2C19AMPD3FOLH1HDAC4 | |
| SCHEMBL9063423 | 0.77 | CYP1A2 (0.36) | CYP1A2CYP2C19BCHEACHECYP26A1 | |
| SCHEMBL9810139 | 0.76 | RXRA (0.39) | CYP1A2RXRARXRBHDAC2HDAC8 | |
| SCHEMBL31414274 | 0.74 | CYP1A2 (0.48) | CYP1A2CYP2C19BCHEACHERXRA | |
| SCHEMBL5060115 | 0.73 | FOLH1 (0.67) | FOLH1 | |
| SCHEMBL5051190 | 0.73 | SMN1; SMN2 (0.46) | CYP1A2AMPD3FOLH1HDAC4HDAC2 | |
| SCHEMBL28003878 | 0.71 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL14508866 | 0.70 | TP53 (0.37) | RXRARXRBNR1H4FOLH1MRGPRX4 | |
| SCHEMBL31147036 | 0.70 | SMN1; SMN2 (0.46) | AMPD3 | |
| SCHEMBL892932 | 0.70 | CYP1A2 (0.71) | CYP1A2CYP2C19ACHECYP26A1CYP26B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1353903-A2 | THIOL-BASED NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 2003-10-22 | — | — | EP | disclosed |
| WO-2002057222-A2 | THIOL-BASED NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 2002-07-25 | — | — | WO | disclosed |