Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5735075 | 0.84 | ALDH1A1 (0.74) | ALDH1A1NPSR1MEN1KMT2AGAA | |
| SCHEMBL5734401 | 0.81 | NPC1 (0.63) | ALDH1A1MEN1KMT2AHTTCYP2C9 | |
| Iodide SCHEMBL10827466 | 0.80 | NPC1 (0.62) | ALDH1A1MEN1KMT2AHTTCYP2C9 | |
| SCHEMBL30524747 | 0.80 | SPHK2 (0.58) | ALDH1A1L3MBTL1 | |
| SCHEMBL13570365 | 0.80 | SPHK2 (0.58) | ALDH1A1L3MBTL1 | |
| SCHEMBL5734710 | 0.80 | HTT (0.52) | ALDH1A1NPSR1L3MBTL1TDP1MEN1 | |
| SCHEMBL1097863 | 0.77 | NPC1 (0.62) | ALDH1A1KMT2AHTTCYP2C9CYP2C19 | |
| SCHEMBL19817197 | 0.77 | ALDH1A1 (0.60) | ALDH1A1NPSR1L3MBTL1TDP1MEN1 | |
| SCHEMBL13570735 | 0.77 | SPHK1 (0.53) | TDP1MEN1KMT2A | |
| SCHEMBL29619733 | 0.77 | NPSR1 (0.69) | ALDH1A1NPSR1L3MBTL1TDP1MEN1 |
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-1268419-B1 | PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS (AN) | 2006-06-21 | — | — | EP | disclosed |
| EP-1268418-B1 | PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS (AN) | 2006-06-14 | — | — | EP | disclosed |