Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12614924 | 0.83 | XDH (0.46) | XDHLMNAALDH1A1KDM4EHSD17B10 | |
| SCHEMBL16277692 | 0.78 | P4HTM (0.45) | EGFRPTGS2 | |
| SCHEMBL3448625 | 0.74 | MKNK1 (0.40) | ALDH1A1KDM4ESMN1; SMN2HPGDCA2 | |
| SCHEMBL2877472 | 0.73 | XDH (0.32) | XDHLMNAALDH1A1KDM4EHSD17B10 | |
| SCHEMBL3450897 | 0.72 | KDM4E (0.38) | KDM4EMEN1KMT2ANPC1RAB9A | |
| SCHEMBL3725252 | 0.70 | GAA (0.39) | KDM4EMEN1KMT2ACA1 | |
| SCHEMBL2884934 | 0.70 | ALDH1A1 (0.35) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL1450741 | 0.68 | — | — | |
| SCHEMBL309169 | 0.67 | ALDH1A1 (0.50) | XDHLMNAALDH1A1KDM4ECA2 | |
| SCHEMBL308467 | 0.66 | — | — |
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-2010038081-A2 | HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2010-04-08 | — | — | WO | disclosed |