Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MDH1 | P40925 | 3/20 | 0.35 |
| ▸ | MDH2 | P40926 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.33 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20164138 | 0.92 | AAK1 (0.41) | KDM4EALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL20164137 | 0.92 | AAK1 (0.41) | KDM4EALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL21442835 | 0.80 | ALDH1A1 (0.54) | KDM4EALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL20181256 | 0.78 | AAK1 (0.43) | MAPTAAK1 | |
| SCHEMBL1479187 | 0.71 | SMN1; SMN2 (0.53) | KDM4EALDH1A1HPGDHSD17B10KMT2A | |
| SCHEMBL20164199 | 0.71 | HDAC1 (0.52) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL20164158 | 0.70 | NPC1 (0.40) | KDM4EKMT2AMAPTHTT | |
| SCHEMBL28619986 | 0.70 | NPC1 (0.40) | KDM4EKMT2AMAPTHTT | |
| SCHEMBL6513079 | 0.67 | HTT (0.49) | KDM4EALDH1A1HPGDHSD17B10MDH1 | |
| SCHEMBL16318447 | 0.66 | KDM4E (0.52) | KDM4EALDH1A1HPGDHSD17B10KMT2A |
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-2016205482-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-12-22 | — | — | WO | disclosed |