Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.31 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.31 |
| ▸ | F11 | P03951 | 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 | |
|---|---|---|---|---|
| SCHEMBL615434 | 0.80 | F11 (0.36) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL2233338 | 0.80 | SREBF2 (0.40) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL16408844 | 0.72 | F11 (0.37) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL30194123 | 0.69 | AAK1 (0.34) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL614294 | 0.68 | TNIK (0.33) | — | |
| SCHEMBL615850 | 0.68 | F11 (0.36) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL616861 | 0.67 | ATR (0.36) | AGPAT2 | |
| SCHEMBL30194162 | 0.67 | KMT2A (0.35) | — | |
| SCHEMBL616050 | 0.66 | SREBF2 (0.44) | F11 | |
| SCHEMBL14691373 | 0.65 | SREBF2 (0.45) | F11 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534152-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| EP-2534154-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011100402-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |