Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9293068 | 0.89 | ESR1 (0.48) | ESR1ESR2PTGS1PTGS2LMNA | |
| SCHEMBL22235331 | 0.84 | KMT2A (0.53) | ESR1ESR2MEN1NPC1RAB9A | |
| SCHEMBL28031596 | 0.84 | TBXAS1 (0.51) | ESR1CES2CES1PTGS1PTGS2 | |
| SCHEMBL12229428 | 0.82 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL12794955 | 0.82 | ACACB (0.50) | ESR1ESR2PTGS1PTGS2LMNA | |
| SCHEMBL7600582 | 0.82 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL14499001 | 0.82 | ACACB (0.50) | ESR1ESR2PTGS1PTGS2LMNA | |
| SCHEMBL8062337 | 0.82 | ACACB (0.50) | ESR1ESR2PTGS1PTGS2LMNA | |
| SCHEMBL18698817 | 0.82 | ACACB (0.50) | ESR1ESR2PTGS1PTGS2LMNA | |
| SCHEMBL14019341 | 0.80 | CYP1A2 (0.48) | ESR1ESR2PTGS1PTGS2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1924561-A2 | 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | Eli Lilly & Company (US) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007028083-A2 | 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2007-03-08 | — | — | WO | disclosed |