Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.60 |
| ▸ | RAB9A | P51151 | 7/20 | 0.60 |
| ▸ | MAPT | P10636 | 10/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HTR1E | P28566 | 1/20 | 0.52 |
| ▸ | TNF | P01375 | 1/20 | 0.52 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30180770 | 1.00 | NPC1 (0.60) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL29803013 | 0.90 | NPC1 (0.58) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL30181082 | 0.88 | KMT2A (0.58) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL24891918 | 0.88 | KMT2A (0.58) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL24891879 | 0.87 | MAPT (0.64) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL24669978 | 0.87 | MAPT (0.64) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL24892272 | 0.84 | NPC1 (0.63) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL29802918 | 0.84 | MAPT (0.50) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL24671180 | 0.84 | MAPT (0.50) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL29802966 | 0.83 | MAPT (0.55) | NPC1RAB9AMAPTALDH1A1KDM4E |
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 |