Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | 0.82 | HDAC1 (0.50) | RAB9ATDP1L3MBTL1MAOBMEN1 | |
| SCHEMBL6578347 | 0.81 | TDP1 (0.51) | RAB9ATDP1L3MBTL1MAOBMAPK1 | |
| SCHEMBL6789754 | 0.80 | ALDH1A1 (0.57) | TDP1L3MBTL1MEN1KMT2AHSD17B10 | |
| SCHEMBL408911 | 0.79 | TDP1 (0.49) | RAB9ACYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10725421 | 0.79 | L3MBTL1 (0.59) | TDP1L3MBTL1SMN1; SMN2HDAC1HDAC7 | |
| SCHEMBL18196803 | 0.78 | ALDH1A1 (0.49) | CYP3A4TDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL28515555 | 0.78 | SLC15A1 (0.49) | CYP3A4TDP1L3MBTL1CDC25BMEN1 | |
| SCHEMBL17164459 | 0.78 | ALDH1A1 (0.46) | RAB9ACYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25981312 | 0.77 | ALDH1A1 (0.51) | CYP3A4TDP1L3MBTL1MEN1KMT2A | |
| SCHEMBL17469040 | 0.77 | ALDH1A1 (0.51) | CYP3A4TDP1L3MBTL1MEN1KMT2A |
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 |