Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL433146 | 0.87 | CYP1A2 (0.58) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL19508917 | 0.84 | CYP1A2 (0.50) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL16174483 | 0.82 | CYP1A2 (0.52) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL7648436 | 0.82 | TSHR (0.62) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL19249099 | 0.80 | CYP1A2 (0.50) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL13977956 | 0.80 | CYP1A2 (0.50) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL2108042 | 0.80 | CYP1A2 (0.50) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL19249093 | 0.80 | CYP1A2 (0.50) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL19249290 | 0.80 | CYP1A2 (0.50) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 | |
| SCHEMBL4177442 | 0.80 | CYP1A2 (0.61) | RAB9ACYP1A2CYP2A6SLC1A3SLC1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110917130-A | Liquid formulations of amines and organic acids stabilized with salts | 武田药品工业株式会社 | 2020-03-27 | — | — | CN | disclosed |