Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 2/20 | 1.00 |
| ▸ | IDO1 | P14902 | 3/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | COMT | P21964 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4626334 | 0.88 | CYP2C19 (0.79) | CYP2C19HIF1AIDO1HTTSLC6A2 | |
| SCHEMBL28124509 | 0.80 | CYP2C19 (0.66) | CYP2C19HIF1AIDO1HTTSLC6A2 | |
| SCHEMBL28124508 | 0.80 | CYP2C19 (0.66) | CYP2C19HIF1AIDO1HTTSLC6A2 | |
| Hydrochloric Acid SCHEMBL28360013 | 0.79 | CYP2C19 (0.64) | CYP2C19HIF1AADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL30339888 | 0.79 | CYP2C19 (0.64) | CYP2C19HIF1AADRB2ADRB1ADRB3 | |
| SCHEMBL14456227 | 0.79 | CYP2C19 (0.64) | CYP2C19HIF1AIDO1HTTSLC6A2 | |
| SCHEMBL13797358 | 0.78 | CYP2C19 (0.62) | CYP2C19HIF1AIDO1HTTSLC6A2 | |
| Hydrochloric Acid SCHEMBL28404969 | 0.76 | HIF1A (0.61) | CYP2C19HIF1AIDO1ADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL28404971 | 0.76 | HIF1A (0.61) | CYP2C19HIF1AIDO1ADRB2ADRB1 | |
| SCHEMBL11277500 | 0.76 | CYP2C19 (0.60) | CYP2C19HIF1AIDO1HTTSLC6A2 |
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-4153677-A | MICROENCAPSULATED BRONCHODILATOR AGENT, ETHYL CELLULOSE FILM | STERLING DRUG INC. (US) | 1979-05-08 | — | — | US | disclosed |