Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | NOS3 | P29474 | 3/20 | 0.49 |
| ▸ | NOS1 | P29475 | 3/20 | 0.49 |
| ▸ | NOS2 | P35228 | 3/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10577257 | 1.00 | MAOB (0.51) | MAOBNOS3NOS1NOS2HDAC1 | |
| SCHEMBL5680288 | 0.81 | MAOB (0.57) | MAOBNOS3NOS1NOS2HDAC1 | |
| SCHEMBL5680290 | 0.81 | MAOB (0.57) | MAOBNOS3NOS1NOS2HDAC1 | |
| SCHEMBL10579311 | 0.80 | NPC1 (0.54) | MAOBHDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL10579307 | 0.80 | NPC1 (0.54) | MAOBHDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL6955272 | 0.79 | NFE2L2 (0.58) | MAOBNOS3NOS1NOS2HDAC1 | |
| SCHEMBL4105481 | 0.78 | HDAC1 (0.57) | MAOBHDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL2152903 | 0.75 | MAOB (0.69) | MAOBNOS3NOS1NOS2HDAC1 | |
| SCHEMBL5707175 | 0.75 | MAOB (0.69) | MAOBNOS3NOS1NOS2HDAC1 | |
| SCHEMBL2152899 | 0.75 | MAOB (0.69) | MAOBNOS3NOS1NOS2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4882341-A | FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-11-21 | — | — | US | disclosed |
| EP-0178808-A2 | Fungicidal 2-(substituted) aminopropenoic acid derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-23 | — | — | EP | disclosed |