Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | POLB | P06746 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | IP6K1 | Q92551 | 13/20 | 0.65 |
| ▸ | IP6K2 | Q9UHH9 | 12/20 | 0.65 |
| ▸ | IP6K3 | Q96PC2 | 11/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4934034 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL25352733 | 0.81 | KDM4E (0.73) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL6012040 | 0.81 | ALDH1A1 (0.73) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL31265142 | 0.81 | KDM4E (0.73) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL25990585 | 0.79 | IP6K1 (1.00) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL30967420 | 0.79 | IP6K1 (1.00) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL1814046 | 0.74 | S1PR1 (0.68) | IP6K1IP6K2IP6K3MAPT | |
| SCHEMBL6199027 | 0.73 | KDM4E (1.00) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL25353212 | 0.72 | IP6K1 (0.80) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL7444196 | 0.72 | CTSS (0.46) | ALDH1A1KDM4EMEN1KMT2APOLB |
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-2023154466-A1 | ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2023-08-17 | — | — | WO | disclosed |