Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.42 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.37 |
| ▸ | RAC1 | P63000 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8410014 | 0.81 | MEN1 (0.40) | CYP1A2TSHR | |
| SCHEMBL8037590 | 0.81 | MEN1 (0.40) | CYP1A2TSHR | |
| SCHEMBL8052105 | 0.80 | ALDH1A1 (0.42) | TSHR | |
| SCHEMBL8047477 | 0.80 | ALDH1A1 (0.42) | TSHR | |
| SCHEMBL8406851 | 0.80 | MAPK1 (0.42) | TSHR | |
| SCHEMBL8055063 | 0.79 | CA12 (0.43) | TSHR | |
| SCHEMBL8409775 | 0.77 | LTB4R (0.43) | LTB4RLTB4R2 | |
| SCHEMBL8037835 | 0.76 | TSHR (0.45) | CYP1A2TSHR | |
| SCHEMBL8049334 | 0.76 | TSHR (0.45) | CYP1A2TSHR | |
| SCHEMBL8050710 | 0.75 | KMT2A (0.64) | AKR1C3AKR1C2PTGS2PTGS1CYP1A2 |
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-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |