Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.45 |
| ▸ | HTR3B | O95264 | 3/20 | 0.45 |
| ▸ | HTR3A | P46098 | 3/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5235537 | 0.86 | ALDH1A1 (0.59) | MAPKAPK2ALDH1A1TSHRUSP2HSD17B10 | |
| SCHEMBL8664194 | 0.86 | ITGB3 (0.53) | MAPKAPK2ALDH1A1TSHRUSP2HSD17B10 | |
| Hydrochloric Acid SCHEMBL31349246 | 0.84 | ALDH1A1 (0.58) | MAPKAPK2ALDH1A1TSHRUSP2HSD17B10 | |
| SCHEMBL3246144 | 0.84 | MAPKAPK2 (0.53) | MAPKAPK2ALDH1A1TSHRUSP2HSD17B10 | |
| SCHEMBL5235280 | 0.81 | TSHR (0.54) | ALDH1A1TSHRUSP2HSD17B10ADRB1 | |
| SCHEMBL14327022 | 0.81 | ALDH1A1 (0.54) | MAPKAPK2ALDH1A1TSHRUSP2HSD17B10 | |
| SCHEMBL29803082 | 0.77 | CHIA (0.52) | ALDH1A1USP2HSD17B10HIF1AEPAS1 | |
| SCHEMBL232986 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TSHRUSP2HSD17B10ADRB1 | |
| SCHEMBL6094124 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TSHRUSP2HSD17B10ADRB1 | |
| SCHEMBL2427902 | 0.77 | ALDH1A1 (0.86) | ALDH1A1TSHRUSP2HSD17B10ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |