Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7316158 | 0.85 | ALDH1A1 (0.47) | ALDH1A1PKMHTTLMNAKMT2A | |
| SCHEMBL7310025 | 0.82 | PKM (0.44) | ALDH1A1PKMHTTNLRP3LMNA | |
| SCHEMBL7319001 | 0.79 | PDE3B (0.49) | ALDH1A1PKMHTTLMNAKMT2A | |
| SCHEMBL7311227 | 0.78 | KDM4E (0.43) | ALDH1A1PKMLMNAKMT2AKCNH2 | |
| SCHEMBL7316070 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HTTLMNAKMT2AKCNH2 | |
| SCHEMBL7309366 | 0.74 | HSD11B1 (0.44) | ALDH1A1KMT2APDE3BPDE3AMAOB | |
| SCHEMBL7307849 | 0.73 | KCNH2 (0.47) | ALDH1A1LMNAKMT2AKCNH2PDE3B | |
| SCHEMBL11312994 | 0.72 | XDH (0.47) | ALDH1A1LMNAKMT2AKCNH2PDE3B | |
| SCHEMBL7306333 | 0.71 | ALDH1A1 (0.49) | ALDH1A1PKMHTTLMNAKMT2A | |
| SCHEMBL7341497 | 0.71 | PDE3B (0.43) | ALDH1A1LMNAKMT2AKCNH2PDE3B |
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 |
|---|---|---|---|---|---|---|---|
| US-4277479-A | ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1981-07-07 | — | — | US | disclosed |