Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.32 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28289928 | 0.82 | TSHR (0.38) | TSHRTP53MEN1KMT2ATAAR1 | |
| SCHEMBL10603005 | 0.82 | TYR (0.47) | TSHRTP53MEN1KMT2ATAAR1 | |
| SCHEMBL4057353 | 0.80 | PTGS1 (0.48) | TSHRMEN1KMT2AESR1PTGS1 | |
| SCHEMBL22729369 | 0.78 | ESR1 (0.35) | TAAR1SLC6A4TRPA1ESR1ESR2 | |
| SCHEMBL15161169 | 0.78 | TP53 (0.42) | TSHRTP53TAAR1TRPA1ESR1 | |
| SCHEMBL28734578 | 0.76 | SLC6A4 (0.39) | TAAR1SLC6A4TRPA1ESR1ESR2 | |
| SCHEMBL5838111 | 0.76 | IDO1 (0.42) | TAAR1TRPA1ESR1ESR2 | |
| SCHEMBL24568712 | 0.74 | CYP1A2 (0.53) | TAAR1TRPA1ESR1ESR2PMP22 | |
| SCHEMBL9909393 | 0.74 | TRPA1 (0.53) | TAAR1TRPA1LMNAMAOA | |
| SCHEMBL6643827 | 0.74 | SLC6A2 (0.39) | TAAR1SLC6A4TRPA1ESR1ESR2 |
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-0641304-A4 | STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES. | KUNICHEM INC (US) | 1994-12-13 | — | — | EP | disclosed |