Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 9/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16975471 | 0.93 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2ABL1MAPK1 | |
| SCHEMBL16975230 | 0.92 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2ABL1MAPK1 | |
| SCHEMBL16975277 | 0.92 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2ABL1MAPK1 | |
| SCHEMBL16975211 | 0.89 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2ABL1 | |
| SCHEMBL16975472 | 0.89 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2ABL1MAPK1 | |
| SCHEMBL16975198 | 0.89 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2ABL1MAPK1 | |
| SCHEMBL16975482 | 0.89 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2ABL1 | |
| SCHEMBL16975217 | 0.88 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2ABL1 | |
| SCHEMBL16975551 | 0.88 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2ABL1MAPK1 | |
| SCHEMBL16975219 | 0.87 | ABL1 (0.38) | NPC1RAB9ASMN1; SMN2ABL1PIK3CA |
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-3102203-A2 | ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN | SPERO GYRASE, INC. (US) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015114452-A2 | ANTIBACTERIAL COMPOUNDS | BIOTA EUROPE LTD (GB) | 2015-08-06 | — | — | WO | disclosed |