Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5768632 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL28428867 | 0.84 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL7667985 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL5398497 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL19105243 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL14519955 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL28168230 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL14519960 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL8017907 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL1555297 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 |
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-0949922-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998013044-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1998-04-02 | — | — | WO | disclosed |