Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 9/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9243943 | 1.00 | MAOB (0.44) | MAOBLMNAMAOASLC6A2PKM | |
| SCHEMBL531368 | 1.00 | MAOB (0.44) | MAOBLMNAMAOASLC6A2PKM | |
| SCHEMBL2896669 | 0.81 | DDB1 (0.40) | MAOBSLC6A2 | |
| SCHEMBL8234131 | 0.81 | USP2 (0.35) | LMNAMAOASLC6A2PKMMAPT | |
| SCHEMBL20840267 | 0.81 | DDB1 (0.40) | MAOBSLC6A2 | |
| SCHEMBL5021254 | 0.81 | MAOB (0.44) | MAOB | |
| SCHEMBL2901706 | 0.81 | SLC6A3 (0.46) | SLC6A2 | |
| SCHEMBL2722147 | 0.81 | SLC6A3 (0.46) | SLC6A2 | |
| SCHEMBL2893585 | 0.81 | MAOB (0.44) | MAOB | |
| SCHEMBL2899162 | 0.81 | HSD17B10 (0.47) | MAOBLMNAMAOAPKM |
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-5391819-A | Process of making chiral 2-aryl-1,4-butanediamine derivatives as useful neurokinin-A antagonists | MERCK & CO., INC. (US) | 1995-02-21 | — | — | US | disclosed |