Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.47 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.46 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL24670036 | 0.93 | NPC1 (0.58) | RAB9ANPC1HDAC1HDAC6HDAC8 | |
| SCHEMBL24669629 | 0.88 | RAB9A (0.59) | RAB9ANPC1HDAC1HDAC6HDAC8 | |
| SCHEMBL29803532 | 0.88 | RAB9A (0.59) | RAB9ANPC1HDAC1HDAC6HDAC8 | |
| SCHEMBL24669445 | 0.87 | CYP1A2 (0.52) | RAB9ANPC1HDAC1HDAC6HDAC8 | |
| SCHEMBL29803240 | 0.87 | CYP1A2 (0.52) | RAB9ANPC1HDAC1HDAC6HDAC8 | |
| SCHEMBL24670817 | 0.86 | RAB9A (0.73) | RAB9ANPC1HDAC1HDAC6HDAC8 | |
| SCHEMBL24669262 | 0.86 | DHODH (0.64) | RAB9ANPC1HDAC1HDAC6DHODH | |
| SCHEMBL24670207 | 0.83 | GPR27 (0.52) | RAB9ANPC1HDAC1HDAC6HDAC8 | |
| SCHEMBL29803314 | 0.83 | GPR27 (0.52) | RAB9ANPC1HDAC1HDAC6HDAC8 | |
| SCHEMBL24670340 | 0.82 | RAB9A (0.50) | RAB9ANPC1HDAC1HDAC6KCNK2 |
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 |