Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | GPR183 | P32249 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL11074038 | 0.98 | TAS1R3 (0.46) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| Water SCHEMBL11073909 | 0.83 | HPGD (0.47) | CYP3A4ALDH1A1MAPK1TDP1MAPT | |
| SCHEMBL12647578 | 0.83 | CYP3A4 (0.49) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| SCHEMBL1483722 | 0.82 | SMN1; SMN2 (0.52) | TAS1R3TAS1R1ALDH1A1MAPK1TDP1 | |
| SCHEMBL1484306 | 0.82 | TSHR (0.59) | ALDH1A1MAPK1TDP1TSHRMAPT | |
| Water SCHEMBL11291160 | 0.80 | TSHR (0.57) | ALDH1A1MAPK1TDP1TSHRMAPT | |
| SCHEMBL10845040 | 0.80 | TSHR (0.57) | ALDH1A1MAPK1TDP1TSHRMAPT | |
| SCHEMBL4352652 | 0.79 | HTT (0.53) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| SCHEMBL9448915 | 0.79 | ALDH1A1 (0.51) | TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4 | |
| SCHEMBL10554190 | 0.79 | GRM2 (0.41) | CYP1A2CYP2C19ALDH1A1MAPK1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002085369-A1 | INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY | STRUCTURAL BIOINFORMATICS, INC. (US) | 2002-10-31 | — | — | WO | disclosed |
| US-6436933-B1 | 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE | STRUCTURAL BIOINFORMATICS INC. | 2002-08-20 | — | — | US | disclosed |