Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ESRRG | P62508 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24671416 | 0.90 | TP53 (0.37) | TP53RXFP1AKT3SMN1; SMN2USP2 | |
| Trifluoroacetic Acid SCHEMBL29803711 | 0.85 | TP53 (0.36) | TP53RXFP1AKT3SMN1; SMN2USP2 | |
| SCHEMBL24671549 | 0.79 | TP53 (0.40) | TP53RXFP1ROCK2SMN1; SMN2ESRRG | |
| SCHEMBL24671339 | 0.75 | MAPT (0.41) | RXFP1SMN1; SMN2ESRRGNPC1MAPT | |
| SCHEMBL29803264 | 0.75 | RXFP1 (0.34) | TP53RXFP1SMN1; SMN2ESRRGNPC1 | |
| SCHEMBL24669980 | 0.74 | RXFP1 (0.34) | TP53RXFP1SMN1; SMN2ESRRGNPC1 | |
| SCHEMBL29803084 | 0.72 | ESRRG (0.46) | RXFP1SMN1; SMN2ESRRGNPC1RAB9A | |
| SCHEMBL24892106 | 0.72 | ALDH1A1 (0.46) | TP53SMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL24671076 | 0.71 | PTPN11 (0.38) | — | |
| SCHEMBL24671165 | 0.71 | ALDH1A1 (0.36) | SMN1; SMN2NPC1RAB9AL3MBTL1MAPT |
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 |