Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SREBF2 | Q12772 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | SHMT1 | P34896 | 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 | |
|---|---|---|---|---|
| SCHEMBL616816 | 0.84 | SREBF2 (0.38) | SREBF2AAK1 | |
| SCHEMBL616050 | 0.83 | SREBF2 (0.44) | SREBF2AAK1CYP17A1MAP4K4 | |
| SCHEMBL2236912 | 0.83 | SREBF2 (0.39) | SREBF2AAK1CYP17A1 | |
| SCHEMBL616659 | 0.83 | SREBF2 (0.38) | SREBF2AAK1 | |
| SCHEMBL2234474 | 0.83 | SREBF2 (0.38) | SREBF2AAK1 | |
| SCHEMBL14691373 | 0.83 | SREBF2 (0.45) | SREBF2AAK1CYP17A1MAP4K4SHMT1 | |
| SCHEMBL2236917 | 0.82 | SREBF2 (0.38) | SREBF2AAK1 | |
| SCHEMBL615789 | 0.81 | SREBF2 (0.38) | SREBF2AAK1 | |
| SCHEMBL616966 | 0.80 | SREBF2 (0.40) | SREBF2AAK1MAP4K4 | |
| SCHEMBL615850 | 0.80 | F11 (0.36) | SREBF2AAK1HDAC3HDAC1HDAC2 |
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-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |