Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.68 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | MMP1 | P03956 | 1/20 | 0.57 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1303471 | 0.92 | NPC1 (0.85) | NPC1RAB9APDE4BALOX5HDAC8 | |
| SCHEMBL7868896 | 0.91 | NPC1 (0.83) | NPC1RAB9APDE4BHDAC8HDAC1 | |
| SCHEMBL11776953 | 0.87 | NPC1 (0.82) | NPC1RAB9APDE4BALOX5HDAC8 | |
| SCHEMBL4082864 | 0.87 | PDE4B (0.86) | NPC1RAB9APDE4BHDAC8HDAC1 | |
| SCHEMBL3171960 | 0.87 | PDE4B (0.79) | NPC1RAB9APDE4BHDAC8HDAC1 | |
| SCHEMBL8984314 | 0.86 | THRA (0.67) | NPC1RAB9APDE4B | |
| SCHEMBL28650786 | 0.85 | LMNA (0.76) | NPC1RAB9APDE4BHDAC8HDAC1 | |
| SCHEMBL11436374 | 0.85 | NPC1 (0.73) | NPC1RAB9APDE4BMAPTF2RL1 | |
| SCHEMBL9151000 | 0.85 | NPC1 (0.64) | NPC1RAB9APDE4BALOX5HDAC8 | |
| SCHEMBL4096780 | 0.83 | NPC1 (0.71) | NPC1RAB9APDE4BHDAC8HDAC1 |
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-0840606-B1 | DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS | TEXAS BIOTECHNOLOGY CORP (US) | 2000-06-07 | — | — | EP | disclosed |
| US-5919768-A | COMPOUNDS WHICH INHIBIT BINDING OF SELECTINS TO SIALYL-LEWIS-X AND SIALYL-LEWIS-A CARBOHYDRATES | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1999-07-06 | — | — | US | disclosed |