Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 4/20 | 0.47 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.47 |
| ▸ | TUBB | P07437 | 1/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.47 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.47 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.47 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.47 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.47 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.47 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3629871 | 0.86 | NPC1 (0.59) | NPC1RAB9ATDP1APPTNFRSF1A | |
| SCHEMBL3631073 | 0.85 | TUBB4A (0.50) | NPC1RAB9ATDP1APPTNFRSF1A | |
| SCHEMBL3632464 | 0.82 | TNFRSF1A (0.50) | NPC1RAB9ATDP1APPTNFRSF1A | |
| SCHEMBL18149155 | 0.77 | CCNB2 (0.75) | NPC1RAB9ATDP1APPCCNB2 | |
| SCHEMBL30996902 | 0.76 | TRPA1 (0.60) | NPC1RAB9AAPPTUBB4ATUBB | |
| SCHEMBL29269448 | 0.76 | TRPA1 (0.60) | NPC1RAB9AAPPTUBB4ATUBB | |
| SCHEMBL3237857 | 0.74 | MAOB (0.55) | NPC1RAB9ATNFRSF1AMAPTFFAR1 | |
| SCHEMBL988304 | 0.73 | RAB9A (0.60) | NPC1RAB9ATDP1MAPTMEN1 | |
| SCHEMBL28611580 | 0.73 | TUBB1 (0.54) | NPC1RAB9ATDP1APPTUBB1 | |
| SCHEMBL6584338 | 0.73 | CCNB2 (0.57) | APPTNFRSF1ATUBB4ATUBBTUBA3C |
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-2142498-A2 | CFTR INHIBITOR COMPOUNDS AND USES THEREOF | Institute for Oneworld Health (US) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008121877-A2 | CFTR INHIBITOR COMPOUNDS AND USES THEREOF | INSTITUTE FOR ONEWORLD HEALTH (US) | 2008-10-09 | — | — | WO | disclosed |