Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL6581385 | 0.82 | TP53 (0.42) | ALDH1A1MAPTSMN1; SMN2CYP1A2TP53 | |
| SCHEMBL6580688 | 0.81 | ALDH1A1 (0.36) | ALDH1A1MAPTSMN1; SMN2CYP1A2TP53 | |
| SCHEMBL6578371 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL6576127 | 0.80 | S1PR4 (0.42) | ALDH1A1MAPTSMN1; SMN2CYP1A2TP53 | |
| SCHEMBL6580686 | 0.80 | S1PR4 (0.44) | ALDH1A1MAPTSMN1; SMN2CYP1A2TP53 | |
| SCHEMBL6581464 | 0.80 | KDM4E (0.44) | ALDH1A1MAPTCYP1A2LMNAL3MBTL1 | |
| SCHEMBL6578500 | 0.79 | ALDH1A1 (0.43) | ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL6576231 | 0.78 | MAPT (0.40) | ALDH1A1MAPTSMN1; SMN2CYP1A2TP53 | |
| SCHEMBL6581287 | 0.77 | MAPT (0.42) | ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL6580761 | 0.77 | MAPT (0.42) | ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6 |
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-0867432-B1 | Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists | AVENTIS PHARMA GMBH (DE) | 2004-06-09 | — | — | EP | disclosed |
| EP-0867432-A2 | Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-09-30 | — | — | EP | disclosed |