Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | TMPRSS2 | O15393 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29803711 | 0.94 | TP53 (0.36) | TP53SPHK1RXFP1AKT3NPC1 | |
| SCHEMBL24671418 | 0.90 | TP53 (0.39) | TP53SPHK1RXFP1AKT3NPC1 | |
| SCHEMBL24671549 | 0.89 | TP53 (0.40) | TP53RXFP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24671339 | 0.85 | MAPT (0.41) | RXFP1NPC1SMN1; SMN2ESRRGNAMPT | |
| SCHEMBL29803264 | 0.85 | RXFP1 (0.34) | TP53RXFP1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29803084 | 0.83 | ESRRG (0.46) | RXFP1NPC1RAB9ASMN1; SMN2ESRRG | |
| SCHEMBL24671165 | 0.80 | ALDH1A1 (0.36) | NPC1RAB9ASMN1; SMN2L3MBTL1NAMPT | |
| SCHEMBL24671076 | 0.80 | PTPN11 (0.38) | NAMPTTMPRSS2 | |
| SCHEMBL24670895 | 0.79 | TMPRSS2 (0.44) | NPC1RAB9ASMN1; SMN2NAMPTTMPRSS2 | |
| SCHEMBL24669205 | 0.78 | MAPT (0.36) | TP53NPC1RAB9ASMN1; SMN2USP2 |
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 3 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 | claimed |
| 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 |