Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7722207 | 1.00 | NPC1 (0.62) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL7722205 | 1.00 | NPC1 (0.62) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL7731946 | 0.91 | NPC1 (0.61) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL7729338 | 0.91 | NPC1 (0.61) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL7729342 | 0.91 | NPC1 (0.61) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL7734251 | 0.85 | NPC1 (0.50) | NPC1RAB9APOLBCYP1A2CYP3A4 | |
| SCHEMBL8135531 | 0.83 | NPC1 (0.71) | NPC1RAB9APOLBKMT2AMEN1 | |
| SCHEMBL30129963 | 0.82 | MEN1 (0.67) | NPC1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL13325458 | 0.81 | POLB (0.61) | NPC1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL31122514 | 0.81 | POLB (0.58) | NPC1POLBCYP1A2CYP3A4CYP2C19 |
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 1 patent. 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 |