Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | NQO2 | P16083 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8401477 | 0.92 | CTSS (0.50) | CTSSCTSKTAAR1CNR1NQO2 | |
| SCHEMBL5037823 | 0.90 | CTSS (0.48) | CTSSCTSKTAAR1CNR1NQO2 | |
| SCHEMBL67796 | 0.89 | MAOB (0.54) | CTSSCTSKNQO2 | |
| SCHEMBL18070221 | 0.86 | CTSK (0.47) | CTSSCTSKNQO2POLBNAMPT | |
| SCHEMBL6285264 | 0.86 | CTSS (0.56) | CTSSCTSKPOLBLMNATSHR | |
| SCHEMBL31456961 | 0.86 | CTSS (0.56) | CTSSCTSKPOLBLMNATSHR | |
| SCHEMBL5117803 | 0.85 | CA1 (0.46) | CTSSCTSKNQO2POLBNAMPT | |
| SCHEMBL28321492 | 0.85 | TAAR1 (0.58) | TAAR1CNR1POLBTP53OPRM1 | |
| SCHEMBL8399573 | 0.85 | GPR119 (0.53) | CTSSCTSKNQO2NAMPTIDO1 | |
| SCHEMBL18198086 | 0.85 | CTSS (0.54) | CTSSCTSKNQO2IDO1LMNA |
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-1720836-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082859-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |