Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL7734120 | 1.00 | NPC1 (0.52) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL7303267 | 0.82 | MCL1 (0.47) | POLBCYP1A2CYP3A4CYP2C19HDAC8 | |
| SCHEMBL6847613 | 0.80 | NR1H2 (0.47) | POLBCYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL2819569 | 0.80 | NR1H2 (0.47) | POLBCYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL7728630 | 0.80 | NPC1 (0.62) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL25097911 | 0.80 | NR1H2 (0.47) | POLBCYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL7722205 | 0.80 | NPC1 (0.62) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL4320166 | 0.80 | NR1H2 (0.47) | POLBCYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL6847935 | 0.80 | NR1H2 (0.47) | POLBCYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL3182745 | 0.80 | NR1H2 (0.47) | POLBCYP1A2CYP3A4CYP2C19MEN1 |
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 |