Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.45 |
| ▸ | MELK | Q14680 | 4/20 | 0.44 |
| ▸ | TMPRSS2 | O15393 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL24669379 | 0.94 | NR1H2 (0.49) | NAMPTPIK3CAMTORROCK2SLC2A1 | |
| SCHEMBL24670180 | 0.89 | HDAC1 (0.42) | NAMPTPIK3CAMTORHDAC1ROCK2 | |
| SCHEMBL29803636 | 0.85 | NAMPT (0.67) | NAMPTPIK3CAMTORTMPRSS2NPC1 | |
| SCHEMBL24670854 | 0.85 | NAMPT (0.67) | NAMPTPIK3CAMTORTMPRSS2NPC1 | |
| SCHEMBL24670734 | 0.85 | NR1H2 (0.46) | NAMPTPIK3CAMTORHDAC1MELK | |
| SCHEMBL30182726 | 0.84 | NAMPT (0.68) | NAMPTPIK3CAMTORTMPRSS2 | |
| SCHEMBL24892302 | 0.84 | NAMPT (0.68) | NAMPTPIK3CAMTORTMPRSS2 | |
| SCHEMBL24671269 | 0.80 | NAMPT (0.63) | NAMPTPIK3CAMTORTMPRSS2NPC1 | |
| SCHEMBL29803436 | 0.80 | NAMPT (0.63) | NAMPTPIK3CAMTORTMPRSS2NPC1 | |
| SCHEMBL24670771 | 0.80 | L3MBTL3 (0.55) | NAMPTPIK3CAMTORHDAC1MELK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |