Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6638147 | 0.88 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL25360965 | 0.87 | PDK1 (0.52) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL11505972 | 0.83 | CA12 (0.56) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL6634317 | 0.82 | KMT2A (0.50) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL22639615 | 0.82 | PRSS1 (0.49) | NPC1SMN1; SMN2LMNACYP1A2MEN1 | |
| SCHEMBL15670153 | 0.80 | CYP1A2 (0.42) | NPC1RAB9ASMN1; SMN2LMNACYP1A2 | |
| SCHEMBL76052 | 0.80 | ALDH1A1 (0.66) | NPC1CA12CA1CA2ESR1 | |
| SCHEMBL21008649 | 0.80 | CA12 (0.48) | NPC1RAB9ASMN1; SMN2CA12CA1 | |
| SCHEMBL2721728 | 0.79 | CA12 (0.59) | SMN1; SMN2CA12CA1CA2ESR1 | |
| SCHEMBL9578562 | 0.79 | PKM (0.53) | NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0866793-B1 | NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF | CHIRON CORP (US) | 2004-10-27 | — | — | EP | disclosed |
| US-6087358-A | BACTERICIDES TREATING PATHOGENIC INFECTIONS OF MYCOBACTERIA, CLOSTRIDIUM, CRYPTOSPORIDIUM OR HELICOBACTER AND MULTIDRUG-RESISTANT TUBERCULOSIS | PATHOGENESIS CORPORATION (US) | 2000-07-11 | — | — | US | disclosed |
| EP-0866793-A4 | — | — | 1998-10-07 | — | — | EP | disclosed |
| EP-0866793-A1 | NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF | PATHOGENESIS CORPORATION (US) | 1998-09-30 | — | — | EP | disclosed |
| WO-1997001562-A1 | NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF | PATHOGENESIS CORPORATION (US) | 1997-01-16 | — | — | WO | disclosed |