Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | PTPRB | P23467 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3382383 | 0.87 | SMN1; SMN2 (0.40) | FFAR1CYP2C19 | |
| SCHEMBL8735900 | 0.78 | SMN1; SMN2 (0.40) | ALDH1A1FDPSCYP1A2CYP2C19 | |
| SCHEMBL8736671 | 0.73 | HDAC3 (0.49) | FFAR1TSHR | |
| SCHEMBL3415969 | 0.73 | MEN1 (0.44) | ALDH1A1CYP1A2 | |
| SCHEMBL1687805 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL3383321 | 0.70 | ALDH1A1 (0.42) | ALDH1A1FFAR1TSHRCYP1A2 | |
| SCHEMBL3380434 | 0.68 | ALDH1A1 (0.40) | ALDH1A1FFAR1USP2TSHRCYP1A2 | |
| SCHEMBL28289195 | 0.68 | SMN1; SMN2 (0.43) | ALDH1A1FFAR1PTPRBCYP2C19 | |
| SCHEMBL28997201 | 0.65 | FDPS (0.50) | ALDH1A1FDPSCYP19A1PTPRBCYP1A2 | |
| SCHEMBL3384260 | 0.64 | CYP2C19 (0.35) | ALDH1A1FFAR1TSHRCYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5795877-A | Inhibitors of NAALADase enzyme activity | GUILFORD PHARMACEUTICALS INC. (US) | 1998-08-18 | — | — | US | disclosed |