Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | IL6 | P05231 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL2437918 | 0.88 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HDAC6HDAC7 | |
| SCHEMBL7659834 | 0.82 | KDM4E (0.52) | NPC1RAB9ASMN1; SMN2KDM4EHDAC6 | |
| SCHEMBL31430498 | 0.81 | GAA (0.52) | KDM4EALDH1A1GAAIL6STAT3 | |
| SCHEMBL6614738 | 0.80 | HDAC6 (0.53) | NPC1RAB9ASMN1; SMN2HDAC6ALDH1A1 | |
| SCHEMBL11640477 | 0.80 | CSNK1D (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL2432317 | 0.80 | ITGA4 (0.57) | ITGA4ITGB1GALK1 | |
| SCHEMBL11637058 | 0.80 | PSEN1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL14626860 | 0.79 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2HDAC6ALDH1A1 | |
| SCHEMBL6593703 | 0.78 | HDAC6 (0.62) | NPC1RAB9ASMN1; SMN2KDM4EHDAC6 | |
| SCHEMBL31430606 | 0.77 | GAA (0.55) | KDM4EALDH1A1GAAIL6STAT3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1133484-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | AstraZeneca AB (SE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000005223-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-02-03 | — | — | WO | disclosed |