Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22751884 | 0.83 | KDM4E (0.47) | ALDH1A1KDM4EHPGDKCNA5HTT | |
| SCHEMBL7710944 | 0.83 | AKR1B1 (0.42) | HPGDKCNA5HTTMAPTRAB9A | |
| SCHEMBL10509525 | 0.77 | NPC1 (0.51) | ALDH1A1HSD17B10MEN1KMT2AKCNA5 | |
| SCHEMBL4657688 | 0.77 | POLB (0.49) | ALDH1A1MEN1KMT2AHPGDRAB9A | |
| SCHEMBL644296 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CFTRHSD17B10KDM4EMEN1 | |
| SCHEMBL4027526 | 0.75 | MEN1 (0.44) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL1772178 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CFTRHSD17B10KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL31720563 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CFTRHSD17B10KDM4EMEN1 | |
| SCHEMBL28216115 | 0.74 | ATM (0.46) | ALDH1A1HSD17B10HPGDHTTMAPT | |
| SCHEMBL20749099 | 0.74 | TRPA1 (0.41) | ESR1KCNH2 |
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-2011035417-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE FN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |