Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MDH1 | P40925 | 1/20 | 0.42 |
| ▸ | MDH2 | P40926 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1479187 | 0.89 | SMN1; SMN2 (0.53) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL20164199 | 0.88 | HDAC1 (0.52) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL22075835 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL20164137 | 0.81 | AAK1 (0.41) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL20164138 | 0.81 | AAK1 (0.41) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL18330479 | 0.80 | KDM4E (0.38) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL8548724 | 0.80 | ALDH1A1 (0.64) | ALDH1A1HSD17B10HPGDMAPTL3MBTL1 | |
| SCHEMBL21665115 | 0.79 | ALDH1A1 (0.67) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL22833165 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4EHSD17B10HPGDMAPT | |
| SCHEMBL22833162 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4EHSD17B10HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3310777-B1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-10-09 | — | — | EP | disclosed |