Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5316729 | 0.81 | ALDH1A1 (0.41) | NR1H4ALDH1A1L3MBTL1NPSR1MAPK1 | |
| SCHEMBL370836 | 0.78 | ALDH1A1 (0.43) | DHODHPOLBCYP2C9CYP2C19NR1H4 | |
| SCHEMBL6143144 | 0.76 | POLB (0.37) | DHODHPOLBCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL14892446 | 0.75 | CTNNB1 (0.45) | CTNNB1 | |
| SCHEMBL11771813 | 0.75 | PKM (0.41) | DHODHALDH1A1L3MBTL1PPARGAKR1C3 | |
| SCHEMBL3026754 | 0.73 | LMNA (0.42) | POLBCYP2C9ALDH1A1MEN1LMNA | |
| SCHEMBL31203696 | 0.73 | LMNA (0.42) | POLBCYP2C9ALDH1A1MEN1LMNA | |
| SCHEMBL11138435 | 0.72 | IDO1 (0.42) | DHODHPOLBCYP2C9CYP2C19NR1H4 | |
| SCHEMBL9630582 | 0.71 | MEN1 (0.41) | DHODHALDH1A1MEN1KMT2A | |
| SCHEMBL39249 | 0.70 | ALDH1A1 (0.56) | POLBALDH1A1LMNAAKR1C3 |
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-3377473-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX Pharmaceuticals, Inc. (US) | 2018-09-26 | — | — | EP | disclosed |