Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | QDPR | P09417 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803604 | 0.89 | QDPR (0.52) | CCNT1CDK9NPC1RAB9AALDH1A1 | |
| SCHEMBL29803347 | 0.85 | CCNT1 (0.49) | CCNT1CDK9NPC1RAB9AALDH1A1 | |
| SCHEMBL29803803 | 0.84 | MAOB (0.50) | CCNT1CDK9NPC1RAB9AALDH1A1 | |
| SCHEMBL29803524 | 0.84 | CCNT1 (0.49) | CCNT1CDK9NPC1RAB9AALDH1A1 | |
| SCHEMBL24892288 | 0.84 | KLKB1 (0.45) | CCNT1CDK9NPC1RAB9AALDH1A1 | |
| SCHEMBL24669400 | 0.83 | CCNT1 (0.52) | CCNT1CDK9NPC1RAB9AALDH1A1 | |
| SCHEMBL29803518 | 0.83 | CCNT1 (0.52) | CCNT1CDK9NPC1RAB9AALDH1A1 | |
| SCHEMBL29803458 | 0.82 | CCNT1 (0.46) | CCNT1CDK9NPC1RAB9AALDH1A1 | |
| SCHEMBL24891770 | 0.81 | NPC1 (0.44) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL29803369 | 0.80 | QDPR (0.49) | CCNT1CDK9BRPF1PLAUPLAT |
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-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | disclosed |