Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL19535201 | 0.88 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1CD44ALDH1A1 | |
| SCHEMBL12181242 | 0.84 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1CD44ALDH1A1 | |
| SCHEMBL24899747 | 0.83 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1CD44ALDH1A1 | |
| SCHEMBL21317778 | 0.82 | CYP3A4 (0.41) | CYP3A4TSHRMAPK1CD44ALDH1A1 | |
| SCHEMBL20439331 | 0.82 | CYP3A4 (0.31) | CYP3A4TSHRMAPK1 | |
| SCHEMBL20437528 | 0.82 | CYP3A4 (0.36) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| SCHEMBL14185482 | 0.82 | MAPK1 (0.36) | CYP3A4TSHRMAPK1CD44ALDH1A1 | |
| SCHEMBL25648747 | 0.81 | GRIA1 (0.40) | CYP3A4TSHRMAPK1CD44ALDH1A1 | |
| SCHEMBL19535277 | 0.79 | POLB (0.33) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| SCHEMBL22453016 | 0.76 | GABRP (0.43) | CYP3A4ALDH1A1TDP1PKMKDM4E |
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-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| EP-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |