Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 9/20 | 0.57 |
| ▸ | ATP4B | P51164 | 9/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.51 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL11245371 | 1.00 | ATP4A (0.57) | ATP4AATP4BHDAC3HDAC1HDAC2 | |
| SCHEMBL10751731 | 0.82 | HDAC3 (0.56) | ATP4AATP4BHDAC3HDAC1HDAC2 | |
| SCHEMBL10751726 | 0.82 | HDAC3 (0.56) | ATP4AATP4BHDAC3HDAC1HDAC2 | |
| SCHEMBL11245218 | 0.80 | ATP4A (0.49) | ATP4AATP4BHDAC3HDAC1HDAC2 | |
| SCHEMBL11245222 | 0.80 | ATP4A (0.49) | ATP4AATP4BHDAC3HDAC1HDAC2 | |
| Bromide SCHEMBL11247478 | 0.80 | KMT2A (0.59) | ATP4AATP4BNPC1RAB9AALDH1A1 | |
| Bromide SCHEMBL11247477 | 0.80 | KMT2A (0.59) | ATP4AATP4BNPC1RAB9AALDH1A1 | |
| SCHEMBL11245229 | 0.80 | ATP4A (0.48) | ATP4AATP4BNPC1RAB9AALDH1A1 | |
| SCHEMBL2393684 | 0.75 | HDAC3 (0.59) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL15689011 | 0.74 | ABL1 (0.74) | HDAC3HDAC1HDAC2HDAC10HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315009-A | Antisecretory guanidine derivatives and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-02-09 | — | — | US | disclosed |
| EP-0003640-B1 | ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-01-27 | — | — | EP | disclosed |
| EP-0003640-A2 | Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-08-22 | — | — | EP | disclosed |