Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11097234 | 0.85 | HDAC1 (0.50) | MAOBHDAC1HDAC7HDAC8HDAC3 | |
| SCHEMBL11094653 | 0.81 | MAOB (0.47) | MAOBHDAC1HDAC7HDAC8HDAC3 | |
| SCHEMBL17532520 | 0.78 | MAOB (0.52) | MAOB | |
| SCHEMBL30984472 | 0.78 | ALDH1A1 (0.56) | HDAC1HDAC7HDAC8HDAC3HDAC4 | |
| SCHEMBL1436043 | 0.78 | ALDH1A1 (0.56) | HDAC1HDAC7HDAC8HDAC3HDAC4 | |
| SCHEMBL10425510 | 0.77 | HDAC8 (0.61) | HDAC1HDAC7HDAC8HDAC3HDAC4 | |
| SCHEMBL20634118 | 0.77 | MAOB (0.51) | MAOB | |
| SCHEMBL28375145 | 0.76 | CHRM2 (0.57) | MAOB | |
| SCHEMBL20472107 | 0.76 | CHRM2 (0.57) | MAOB | |
| SCHEMBL29740550 | 0.76 | CHRM2 (0.57) | MAOB |
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-0010893-B1 | ANTISECRETORY BRANCHED-CHAIN HETEROCYCLIC GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, INTERMEDIATES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-02-08 | — | — | EP | disclosed |
| EP-0010893-A1 | Antisecretory branched-chain heterocyclic guanidine derivatives, processes for their manufacture, intermediates, and pharmaceutical compositions containing said derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-05-14 | — | — | EP | disclosed |