Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28901385 | 0.98 | HTT (0.50) | HTTNPSR1PTPN1CES2CES1 | |
| SCHEMBL10884733 | 0.80 | CES2 (0.50) | HTTNPSR1PTPN1CES2CES1 | |
| SCHEMBL23610332 | 0.79 | KMT2A (0.65) | HTTNPSR1PTPN1CES2CES1 | |
| Hydrochloric Acid SCHEMBL11687905 | 0.77 | L3MBTL1 (0.49) | HTTNPSR1PTPN1CES2CES1 | |
| SCHEMBL28754842 | 0.77 | HTT (0.43) | HTTNPSR1PTPN1CES2CES1 | |
| SCHEMBL11687898 | 0.76 | CHRM2 (0.48) | HTTNPSR1PTPN1CES2CES1 | |
| SCHEMBL5201425 | 0.76 | CES2 (0.54) | HTTNPSR1PTPN1CES2CES1 | |
| SCHEMBL10656457 | 0.75 | ALDH1A1 (0.52) | HTTNPSR1PTPN1CHRM2CHRM3 | |
| SCHEMBL9769555 | 0.74 | NPSR1 (0.52) | HTTNPSR1RAB9AKMT2ANPC1 | |
| SCHEMBL28167448 | 0.73 | CES2 (0.50) | HTTNPSR1PTPN1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115403537-A | 2,3,5-trisubstituted-2,3-dihydro-oxatriazole derivative and preparation method thereof | 武汉工程大学 | 2022-11-29 | — | — | CN | disclosed |
| US-4254208-A | DISPERSION, LIQUEFYING, SOLIDS | FUJI PHOTO FILM CO., LTD. (JP) | 1981-03-03 | — | — | US | disclosed |