Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.40 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.40 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.40 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL615980 | 0.84 | POLB (0.54) | SMN1; SMN2MAPTTUBB4ATUBBTUBA3C | |
| SCHEMBL16754021 | 0.84 | SMN1; SMN2 (0.45) | SMN1; SMN2MAPTTUBB4ATUBBTUBA3C | |
| SCHEMBL615858 | 0.84 | SMN1; SMN2 (0.45) | SMN1; SMN2MAPTTUBB4ATUBBTUBA3C | |
| SCHEMBL30480769 | 0.84 | POLB (0.54) | SMN1; SMN2MAPTTUBB4ATUBBTUBA3C | |
| SCHEMBL16753776 | 0.82 | SMN1; SMN2 (0.44) | SMN1; SMN2MAPTALDH1A1HPGDRAB9A | |
| SCHEMBL16753376 | 0.82 | NPC1 (0.47) | SMN1; SMN2MAPTTUBB4ATUBBTUBA3C | |
| SCHEMBL16753842 | 0.82 | TUBB4A (0.49) | SMN1; SMN2MAPTTDP1TUBB4ATUBB | |
| SCHEMBL16753748 | 0.82 | MAPT (0.45) | SMN1; SMN2MAPTTDP1TUBB4ATUBB | |
| SCHEMBL16753367 | 0.79 | AR (0.44) | SMN1; SMN2MAPTRAB9ALMNANPC1 | |
| SCHEMBL613839 | 0.78 | ALDH1A1 (0.52) | SMN1; SMN2MAPTALDH1A1HPGDGAA |
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 |