Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Lurosetron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.65 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.65 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.65 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.65 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | HTR2B | P41595 | 1/20 | 0.65 |
| ▸ | CASP6 | P55212 | 1/20 | 0.64 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | CD44 | P16070 | 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 | |
|---|---|---|---|---|
| Lurosetron SCHEMBL635328 | 0.99 | KCNH2 (0.66) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL788289 | 0.95 | KCNH2 (0.72) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL30949356 | 0.95 | KCNH2 (0.72) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL7291773 | 0.94 | CASP6 (0.72) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL7336906 | 0.94 | KCNH2 (0.71) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL7282816 | 0.90 | KCNH2 (0.63) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL9486016 | 0.90 | KCNH2 (0.63) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL7284073 | 0.89 | KCNH2 (0.65) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| SCHEMBL7285588 | 0.85 | KCNH2 (0.74) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Fumaric Acid SCHEMBL7285626 | 0.85 | CYP1A2 (0.56) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5635513-A | ANTAGONIST OF 5-HYDROXYTRYPTAMINE; ANTINAUSEA AND VOMITING | GLAXO GROUP LIMITED (GB) | 1997-06-03 | — | — | US | claimed |
| EP-0581388-A1 | Pyridoindolone Methansulphonate as 5HT and 5HT3 receptor antagonists | GLAXO GROUP LIMITED (GB) | 1994-02-02 | — | — | EP | claimed |
| US-5635513-A | ANTAGONIST OF 5-HYDROXYTRYPTAMINE; ANTINAUSEA AND VOMITING | GLAXO GROUP LIMITED (GB) | 1997-06-03 | — | — | US | disclosed |
| EP-0581388-A1 | Pyridoindolone Methansulphonate as 5HT and 5HT3 receptor antagonists | GLAXO GROUP LIMITED (GB) | 1994-02-02 | — | — | EP | disclosed |