Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16961777 | 0.83 | TSHR (0.33) | TSHRCES2CES1TAS1R3TAS1R1 | |
| SCHEMBL16958201 | 0.80 | HPGD (0.35) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16956072 | 0.80 | TSHR (0.50) | TSHRTAS1R3TAS1R1TAS1R2POLB | |
| SCHEMBL16950541 | 0.80 | ALDH1A1 (0.43) | TSHRTAS1R3TAS1R1TAS1R2POLB | |
| SCHEMBL16961198 | 0.79 | TSHR (0.39) | TSHRCES2CES1TAS1R3TAS1R1 | |
| SCHEMBL16962916 | 0.78 | PDE5A (0.35) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16957606 | 0.78 | MEN1 (0.36) | TSHRPOLBALDH1A1HPGDNPC1 | |
| SCHEMBL16953065 | 0.77 | GABRA1 (0.30) | GABRA1GABRB2 | |
| SCHEMBL16951364 | 0.77 | CYP11B1 (0.40) | TSHRCES2CES1TAS1R3TAS1R1 | |
| SCHEMBL16951640 | 0.77 | CES2 (0.35) | CES2CES1ALDH1A1ERCC5FEN1 |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |