Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 7/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 7/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4733245 | 0.78 | NPSR1 (0.46) | NPC1RAB9ASMN1; SMN2NPSR1GFER | |
| SCHEMBL4308827 | 0.78 | CYP1A2 (0.52) | NPC1RAB9ASMN1; SMN2NPSR1GFER | |
| SCHEMBL18557755 | 0.73 | CYP1A2 (0.44) | NPC1RAB9ASMN1; SMN2GFERCYP1A2 | |
| SCHEMBL620809 | 0.68 | KDM4E (0.55) | NPC1RAB9ASMN1; SMN2NPSR1GFER | |
| SCHEMBL4308637 | 0.68 | CYP1A2 (0.52) | NPC1RAB9ASMN1; SMN2NPSR1GFER | |
| SCHEMBL4303506 | 0.68 | ALDH1A1 (0.54) | NPC1SMN1; SMN2GFERCYP1A2CYP2E1 | |
| SCHEMBL29991257 | 0.68 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL20595527 | 0.68 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1 | |
| SCHEMBL29991190 | 0.67 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2NPSR1GFER | |
| SCHEMBL21800738 | 0.67 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2NPSR1GFER |
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-1893599-A1 | COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS | AstraZeneca AB (SE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006134378-A1 | COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2006-12-21 | — | — | WO | disclosed |