Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL528528 | 0.70 | CES1 (0.39) | CES1ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL11066854 | 0.68 | SMN1; SMN2 (0.41) | ALDH1A1NPC1RAB9ALMNATP53 | |
| SCHEMBL11828124 | 0.58 | CES1 (0.41) | CES1ALDH1A1LMNATP53MEN1 | |
| SCHEMBL14240852 | 0.58 | ALDH1A1 (0.42) | CES1ALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL30166145 | 0.57 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9ATP53MAPK1 | |
| SCHEMBL20622381 | 0.55 | KMT2A (0.50) | ALDH1A1NPC1RAB9ALMNATP53 | |
| SCHEMBL10687279 | 0.54 | HDAC8 (0.51) | LMNAMEN1KMT2AL3MBTL1 | |
| SCHEMBL11635424 | 0.54 | NSD2 (0.46) | ALDH1A1NPC1RAB9ALMNAMEN1 | |
| SCHEMBL6333863 | 0.54 | RXFP1 (0.42) | ALDH1A1NPC1RAB9ALMNAMEN1 | |
| SCHEMBL8559311 | 0.53 | TLR9 (0.31) | CES1ALDH1A1MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0060610-B1 | HEXAHYDRO-TRANS- AND TETRAHYDROPYRIDOINDOLE NEUROLEPTIC AGENTS | PFIZER INC. (US) | 1985-09-04 | — | — | EP | disclosed |