Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4495411 | 0.97 | GAA (0.44) | MEN1GAAKMT2AALDH1A1KDM4E | |
| SCHEMBL13444608 | 0.91 | GAA (0.44) | MEN1GAAKMT2AALDH1A1KDM4E | |
| SCHEMBL293197 | 0.91 | GAA (0.44) | MEN1GAAKMT2AALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL7430822 | 0.88 | GAA (0.48) | MEN1GAAKMT2AALDH1A1KDM4E | |
| SCHEMBL30191205 | 0.85 | CXCR4 (0.43) | MEN1GAAKMT2AALDH1A1KDM4E | |
| SCHEMBL29408147 | 0.84 | GAA (0.54) | MEN1GAAKMT2AALDH1A1KDM4E | |
| SCHEMBL29144954 | 0.84 | GAA (0.54) | MEN1GAAKMT2AALDH1A1KDM4E | |
| SCHEMBL123812 | 0.84 | GAA (0.54) | MEN1GAAKMT2AALDH1A1KDM4E | |
| SCHEMBL17758260 | 0.81 | GAA (0.52) | MEN1GAAKMT2AALDH1A1KDM4E | |
| SCHEMBL17758261 | 0.81 | GAA (0.52) | MEN1GAAKMT2AALDH1A1KDM4E |
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-3310777-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2018-04-25 | — | — | EP | disclosed |
| WO-2016205482-A1 | DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-12-22 | — | — | WO | disclosed |