Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 7/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30480695 | 0.78 | RPS6KA1 (0.41) | L3MBTL1 | |
| SCHEMBL28212129 | 0.78 | RPS6KA1 (0.41) | L3MBTL1 | |
| SCHEMBL8052157 | 0.76 | P2RX7 (0.47) | FAAH | |
| SCHEMBL2732148 | 0.74 | FAAH (0.40) | NPC1RAB9ASMN1; SMN2LMNAFAAH | |
| SCHEMBL1671935 | 0.73 | RIPK1 (0.43) | — | |
| SCHEMBL7799718 | 0.73 | METAP2 (0.39) | SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL6502661 | 0.72 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2LMNAFAAH | |
| SCHEMBL13387445 | 0.72 | FAAH (0.58) | NPC1RAB9ASMN1; SMN2LMNAFAAH | |
| SCHEMBL11472039 | 0.71 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2LMNAACHE | |
| SCHEMBL3806762 | 0.71 | EPHX2 (0.56) | NPC1RAB9ASMN1; SMN2LMNAFAAH |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |