Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | SOS2 | Q07890 | 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 | |
|---|---|---|---|---|
| SCHEMBL14691344 | 0.79 | FERMT2 (0.35) | ALDH1A1MAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL24450487 | 0.75 | CHRNA7 (0.33) | — | |
| SCHEMBL1987438 | 0.74 | — | — | |
| SCHEMBL9000596 | 0.73 | NPC1 (0.39) | ALDH1A1MAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL256048 | 0.72 | NPC1 (0.62) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL456987 | 0.72 | NPC1 (0.62) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL4096951 | 0.72 | TTR (0.47) | ALDH1A1MAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL4096954 | 0.72 | TTR (0.47) | ALDH1A1MAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL21437630 | 0.71 | NFE2L2 (0.31) | ALDH1A1MAPTL3MBTL1NPC1RAB9A | |
| SCHEMBL15741441 | 0.71 | — | — |
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 |