Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B7 | P16662 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28806243 | 0.89 | UGT2B7 (0.61) | UGT2B7ADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL28567977 | 0.76 | ADRA2A (0.51) | UGT2B7ADRA2AADRA2BADRA2CCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL308383 | 0.75 | SMN1; SMN2 (0.48) | UGT2B7ADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL16746751 | 0.74 | ADRA2A (0.47) | UGT2B7ADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL3001927 | 0.74 | UGT2B7 (0.61) | UGT2B7ADRA2AADRA2BADRA2CCYP2D6 | |
| SCHEMBL918554 | 0.73 | UGT2B7 (0.59) | UGT2B7ADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL6836009 | 0.73 | ESR1 (0.56) | CYP1A2CYP2D6TSHRHIF1AADORA2A | |
| SCHEMBL599956 | 0.72 | UGT2B7 (0.71) | UGT2B7ADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL30928206 | 0.72 | UGT2B7 (0.71) | UGT2B7ADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL9179436 | 0.72 | UGT2B7 (0.71) | UGT2B7ADRA2AADRA2BADRA2CCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103265495-A | Multicyclic amino acid derivatives and methods of their use | LEXICON GENETICS INC | 2013-08-28 | — | — | CN | disclosed |
| CN-101351451-B | Polycyclic amino acid derivatives and methods of use thereof | LEXICON PHARMACEUTICALS INC | 2013-02-20 | — | — | CN | disclosed |
| CN-101351451-A | Polycyclic amino acid derivatives and methods of use thereof | LEXICON GENETICS INC (US) | 2009-01-21 | — | — | CN | disclosed |