Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEP1B | Q16820 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 8/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2472672 | 0.81 | NAMPT (0.43) | HDAC1CYP3A4ALDH1A1KMT2A | |
| SCHEMBL4999263 | 0.80 | AKR1C3 (0.44) | MEP1BHTR6NPC1RAB9APTGER2 | |
| SCHEMBL4424529 | 0.79 | HTR6 (0.44) | HTR6METCYP3A4ALDH1A1PKM | |
| SCHEMBL4999257 | 0.79 | CHRM5 (0.50) | MEP1BHTR6PTGER2CHRM5ALDH1A1 | |
| SCHEMBL2407643 | 0.75 | CHRM5 (0.42) | MEP1BHTR6HDAC1METPTGER2 | |
| SCHEMBL15730048 | 0.75 | NPC1 (0.64) | HDAC1NPC1RAB9AMTNR1BALDH1A1 | |
| SCHEMBL28715560 | 0.74 | HTR6 (0.49) | MEP1BHTR6METL3MBTL1CYP3A4 | |
| SCHEMBL28702913 | 0.72 | MET (0.46) | HTR6HDAC1METL3MBTL1CYP3A4 | |
| SCHEMBL28713092 | 0.72 | KDM4E (0.38) | HTR6METALDH1A1 | |
| SCHEMBL28936708 | 0.72 | KDM4E (0.40) | HTR6METALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2364979-A1 | Pyrrole compounds | Takeda Pharmaceutical Company Limited (JP) | 2011-09-14 | — | — | EP | disclosed |