Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.65 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SGK1 | O00141 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18814004 | 0.84 | ADRB2 (0.49) | ADRB2HRH3TAAR1LOXL2CYP2A6 | |
| SCHEMBL2427481 | 0.79 | ADRB2 (1.00) | ADRB2HRH3TAAR1LOXL2CYP2A6 | |
| SCHEMBL28135249 | 0.77 | ADRB2 (0.96) | ADRB2HRH3TAAR1LOXL2CYP2A6 | |
| SCHEMBL18677320 | 0.77 | HRH3 (0.45) | ADRB2HRH3TAAR1LOXL2CYP2A6 | |
| SCHEMBL13978024 | 0.73 | ADRB2 (0.78) | ADRB2HRH3TAAR1LOXL2CYP2A6 | |
| SCHEMBL18653546 | 0.72 | KDM4E (0.47) | LOXL2KDM4ENPC1ALDH1A1TP53 | |
| SCHEMBL18814008 | 0.70 | HRH3 (0.45) | ADRB2HRH3TAAR1LOXL2CYP2A6 | |
| SCHEMBL505581 | 0.67 | ADRB2 (0.62) | ADRB2HRH3TAAR1LOXL2CYP2A6 | |
| SCHEMBL30083578 | 0.67 | ADRB2 (0.62) | ADRB2HRH3TAAR1LOXL2CYP2A6 | |
| SCHEMBL112429 | 0.67 | ADRB2 (0.68) | ADRB2TAAR1LOXL2CYP2A6SYK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017075055-A1 | REDUCED AND OXIDIZED POLYSACCHARIDES AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-05-04 | — | — | WO | disclosed |