Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 4/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5054247 | 0.90 | ACP3 (0.45) | MEN1KMT2AMMP1MMP13CYP2C19 | |
| SCHEMBL8061513 | 0.86 | MMP1 (0.44) | MMP1MMP13CYP2C19POLB | |
| SCHEMBL8046547 | 0.85 | ACP3 (0.50) | MMP1MMP13 | |
| SCHEMBL8064170 | 0.85 | ACP3 (0.51) | MMP1MMP13ALDH1A1 | |
| SCHEMBL5059745 | 0.83 | GAA (0.46) | SMN1; SMN2MEN1KMT2ACYP2C19 | |
| SCHEMBL5054404 | 0.81 | CYP1A2 (0.41) | — | |
| SCHEMBL7608381 | 0.80 | ANPEP (0.43) | SMN1; SMN2 | |
| SCHEMBL5053343 | 0.79 | CYP2C19 (0.46) | SMN1; SMN2MEN1KMT2AALDH1A1CYP2C19 | |
| SCHEMBL5053318 | 0.78 | SLC6A2 (0.43) | CYP2C19POLB | |
| SCHEMBL7604050 | 0.77 | GRM8 (0.45) | SMN1; 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 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 |