Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.32 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ASAH2 | Q9NR71 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL12352426 | 0.82 | HDAC2 (0.41) | HDAC2ALDH1A1MAPTFPR2HDAC3 | |
| SCHEMBL10290386 | 0.81 | HDAC2 (0.41) | HDAC2LMNAMAPTHDAC3HDAC1 | |
| SCHEMBL23879485 | 0.81 | HDAC2 (0.43) | HDAC2ALDH1A1MAPTFPR2HDAC3 | |
| SCHEMBL12352400 | 0.80 | ALDH1A1 (0.33) | LMNAALDH1A1MAPTMCL1 | |
| SCHEMBL22294369 | 0.80 | ALDH1A1 (0.33) | LMNAALDH1A1MAPTMCL1 | |
| SCHEMBL22294481 | 0.80 | ALDH1A1 (0.33) | LMNAALDH1A1MAPTMCL1 | |
| SCHEMBL22294295 | 0.80 | ALDH1A1 (0.33) | LMNAALDH1A1MAPTMCL1 | |
| SCHEMBL28579046 | 0.79 | ASAH2 (0.55) | HDAC2LMNAALDH1A1MAPTASAH2 | |
| SCHEMBL12352401 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL6326746 | 0.77 | HDAC2 (0.57) | HDAC2LMNAALDH1A1MAPTFPR2 |
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-3786165-A1 | SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |