Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | MARS1 | P56192 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10093050 | 0.81 | HSD11B1 (0.49) | AHRNPC1SRD5A2SMN1; SMN2MEN1 | |
| SCHEMBL4498898 | 0.81 | MAP4K4 (0.57) | AHRSRD5A2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL10900033 | 0.80 | AHR (0.55) | AHRNPC1SRD5A2SMN1; SMN2MEN1 | |
| SCHEMBL17629999 | 0.78 | EGLN2 (0.44) | NPC1MEN1KMT2APIK3CDCYP2A6 | |
| SCHEMBL4781819 | 0.78 | MAP4K4 (0.59) | SRD5A2MARS1 | |
| SCHEMBL3625260 | 0.77 | MAP4K4 (0.53) | AHRNPC1MAPTHSD11B1CLK1 | |
| SCHEMBL2933108 | 0.77 | AHR (0.67) | AHRNPC1SRD5A2SMN1; SMN2MARS1 | |
| SCHEMBL4501855 | 0.76 | MARS1 (0.52) | AHRSRD5A2MARS1 | |
| SCHEMBL10896655 | 0.76 | USP7 (0.53) | NPC1MEN1KMT2APIK3CDCYP2A6 | |
| SCHEMBL3300341 | 0.75 | NPC1 (0.43) | NPC1PIK3CDCYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4613603-A | Compounds with a nitrogen-containing heterocyclic nucleus, and drugs in which they are present | SANOFI (FR) | 1986-09-23 | — | — | US | disclosed |