Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | AR | P10275 | 1/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.56 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 1/20 | 0.56 |
| ▸ | DRD5 | P21918 | 1/20 | 0.56 |
| ▸ | HRH2 | P25021 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL8599293 | 0.88 | NPC1 (0.81) | NPC1RAB9AARSIGMAR1TDP1 | |
| SCHEMBL10371234 | 0.87 | NPC1 (0.78) | NPC1RAB9AARSIGMAR1TDP1 | |
| SCHEMBL8235059 | 0.86 | MAPT (0.79) | NPC1RAB9AARMAPTNPSR1 | |
| SCHEMBL7131839 | 0.84 | NPC1 (0.86) | NPC1SIGMAR1TDP1MAPTALDH1A1 | |
| SCHEMBL7726502 | 0.84 | NPC1 (0.60) | NPC1RAB9AARSIGMAR1TDP1 | |
| SCHEMBL9557081 | 0.84 | NPC1 (0.60) | NPC1RAB9AARSIGMAR1TDP1 | |
| SCHEMBL7068444 | 0.84 | FKBP1A (0.82) | NPC1RAB9AARSIGMAR1TDP1 | |
| SCHEMBL7728474 | 0.83 | AR (0.62) | NPC1RAB9AARSIGMAR1TDP1 | |
| SCHEMBL7376148 | 0.82 | NPC1 (0.76) | NPC1RAB9ATDP1SMN1; SMN2 | |
| SCHEMBL7306852 | 0.81 | POLB (0.83) | NPC1RAB9AARSIGMAR1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6399629-B1 | PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY | MICROCIDE PHARMACEUTICALS, INC. | 2002-06-04 | — | — | US | disclosed |
| WO-2000001714-A1 | EFFLUX PUMP INHIBITORS | MICROCIDE PHARMACEUTICALS, INC. (US) | 2000-01-13 | — | — | WO | disclosed |