Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.35 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 2/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 4/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.33 |
| ▸ | RBP4 | P02753 | 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 | |
|---|---|---|---|---|
| SCHEMBL5847475 | 0.92 | S1PR1 (0.37) | HTR2AHTR2CHTR2BEPHX2 | |
| SCHEMBL5847306 | 0.91 | HTR2A (0.36) | HTR2AHTR2CHTR2BEPHX2RBP4 | |
| SCHEMBL5847619 | 0.90 | CPS1 (0.37) | HTR2AHTR2CHTR2BESR1ESR2 | |
| SCHEMBL5847121 | 0.89 | CCR3 (0.35) | HTR2AHTR2CHTR2BESR1ESR2 | |
| SCHEMBL5847193 | 0.88 | CCR3 (0.35) | HTR2AHTR2CHTR2BESR1ESR2 | |
| SCHEMBL5847324 | 0.87 | CCR3 (0.34) | HTR2AHTR2CHTR2BESR1ESR2 | |
| SCHEMBL5847107 | 0.87 | SCD5 (0.37) | HTR2AHTR2CHTR2BEPHX2CCR3 | |
| SCHEMBL5846973 | 0.87 | CCR3 (0.34) | HTR2AHTR2CHTR2BESR1ESR2 | |
| SCHEMBL5408675 | 0.83 | HTR2A (0.62) | HTR2AHTR2CHTR2BEPHX2ESR1 | |
| SCHEMBL5847913 | 0.80 | ABCB1 (0.35) | HTR2CCCR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7081455-B2 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-25 | — | — | US | claimed |
| US-7081455-B2 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-25 | — | — | US | disclosed |