Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL14692188 | 0.87 | ADRA2A (0.40) | ADRA2BADRB1ADRA2AADRB3ADRA2C | |
| SCHEMBL14691515 | 0.86 | ADRA2A (0.39) | TP53ADRA2BADRB1ADRA2AADRB3 | |
| SCHEMBL6055320 | 0.84 | PPARG (0.49) | TP53POLBHTTNPSR1L3MBTL1 | |
| SCHEMBL30669716 | 0.84 | PPARG (0.49) | TP53POLBHTTNPSR1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL28835220 | 0.83 | PPARG (0.48) | TP53POLBHTTNPSR1L3MBTL1 | |
| SCHEMBL13570094 | 0.82 | ALDH1A1 (0.50) | TAS1R3TAS1R1ADRA2BDRD2DRD1 | |
| SCHEMBL13263813 | 0.81 | TAS1R3 (0.40) | TAS1R3TAS1R1TP53ADRA2BADRA2A | |
| SCHEMBL6742344 | 0.81 | TAS1R3 (0.40) | TAS1R3TAS1R1TP53ADRA2APPARG | |
| SCHEMBL6745045 | 0.81 | TAS1R3 (0.40) | TAS1R3TAS1R1TP53ADRA2APPARG | |
| SCHEMBL10091381 | 0.80 | CES2 (0.45) | TAS1R3TAS1R1ADRA2BADRB1ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3070087-B1 | INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-04-10 | — | — | EP | disclosed |