Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13631350 | 0.92 | NPC1 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL3861468 | 0.92 | NPC1 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL3859072 | 0.91 | NPC1 (0.37) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8233817 | 0.90 | NPC1 (0.39) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL13683207 | 0.82 | MEN1 (0.42) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL13631867 | 0.82 | NPC1 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL13631544 | 0.82 | CA1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL13331075 | 0.81 | NPC1 (0.37) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL3861255 | 0.80 | CA1 (0.35) | NPC1RAB9AALDH1A1SMN1; SMN2CA1 | |
| SCHEMBL8242485 | 0.78 | CYP1A2 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT |
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-2007076431-A1 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-05 | — | — | WO | disclosed |