Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
| ▸ | GRM8 | O00222 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL16379328 | 1.00 | CES2 (0.50) | CES2CES1AKR1C3AKR1C2PSEN1 | |
| SCHEMBL1797371 | 0.79 | AKR1C3 (0.65) | CES2CES1AKR1C3AKR1C2PSEN1 | |
| SCHEMBL5698990 | 0.79 | CES2 (0.48) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL9668161 | 0.79 | PDE2A (0.56) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL4967991 | 0.79 | NR1I2 (0.53) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL5018968 | 0.79 | NR1I2 (0.53) | CES2CES1AKR1C3AKR1C2ACP3 | |
| SCHEMBL836794 | 0.78 | CES2 (0.46) | CES2CES1AKR1C3AKR1C2PSEN1 | |
| SCHEMBL5018989 | 0.78 | CES2 (0.46) | CES2CES1AKR1C3AKR1C2PSEN1 | |
| SCHEMBL836793 | 0.78 | CES2 (0.46) | CES2CES1AKR1C3AKR1C2PSEN1 | |
| SCHEMBL3640672 | 0.78 | CES2 (0.46) | CES2CES1AKR1C3AKR1C2PSEN1 |
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-8933018-B2 | Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2015-01-13 | — | — | US | disclosed |