Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8459392 | 0.87 | TSHR (0.42) | ALDH1A1TSHRUSP2HTTSMN1; SMN2 | |
| SCHEMBL8734087 | 0.87 | HDAC3 (0.47) | CYP2C19TSHRHTTSMN1; SMN2FFAR1 | |
| SCHEMBL8735897 | 0.77 | SMN1; SMN2 (0.51) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2FDPS | |
| SCHEMBL8457131 | 0.75 | TSHR (0.49) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL8154438 | 0.72 | TSHR (0.49) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL8736669 | 0.72 | HDAC3 (0.57) | TSHRSMN1; SMN2FFAR1 | |
| SCHEMBL1373610 | 0.72 | FOLH1 (0.40) | ALDH1A1TSHRUSP2FDPS | |
| SCHEMBL8159050 | 0.71 | TSHR (0.48) | ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL8734526 | 0.70 | TSHR (0.50) | ALDH1A1TSHRFFAR1 | |
| SCHEMBL1624984 | 0.69 | HDAC3 (0.67) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 |
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 |