Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL200520 | 0.82 | CYP4F2 (0.44) | TSHRRARBMEN1USP2ALDH1A1 | |
| SCHEMBL27685241 | 0.78 | GABRA1 (0.39) | TSHRRARBMEN1USP2ALDH1A1 | |
| SCHEMBL9222184 | 0.76 | ADRB3 (0.41) | ADRB3ADRB1AKR1C2AKR1C1RARB | |
| SCHEMBL10695855 | 0.76 | ADRB3 (0.41) | ADRB3ADRB1AKR1C2AKR1C1RARB | |
| SCHEMBL11772230 | 0.76 | CES2 (0.41) | ADRB3ADRB1TSHRALDH1A1CES2 | |
| SCHEMBL23538 | 0.75 | CYP2C9 (0.49) | ESR1ESR2ADRB3AKR1C2AKR1C3 | |
| SCHEMBL29764025 | 0.75 | CYP2C9 (0.49) | ESR1ESR2ADRB3AKR1C2AKR1C3 | |
| SCHEMBL3385017 | 0.74 | ALDH1A1 (0.52) | AKR1C2AKR1C3TSHRMEN1USP2 | |
| SCHEMBL1098812 | 0.73 | CYP2C9 (0.50) | ESR1ESR2ADRB3AKR1C2AKR1C3 | |
| SCHEMBL7980309 | 0.73 | ADRB3 (0.37) | ADRB3ADRB1AKR1C2AKR1C3AKR1C1 |
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-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |