Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 known ✓ | Q07817 | 2/20 | 0.39 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.39 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.68 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.65 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL7711975 | 0.97 | LTB4R (0.72) | LTB4RLTB4R2PLA2G4BMAPTLMNA | |
| Hydrochloric Acid SCHEMBL8994890 | 0.96 | LTB4R (0.71) | LTB4RLTB4R2PLA2G4BMAPTLMNA | |
| SCHEMBL9702013 | 0.94 | LTB4R (0.68) | LTB4RLTB4R2PLA2G4BMAPTLMNA | |
| Maleic Acid SCHEMBL7748813 | 0.93 | LTB4R (0.76) | LTB4RLTB4R2PLA2G4BMAPTLMNA | |
| Fumaric Acid SCHEMBL3182319 | 0.93 | LTB4R (0.76) | LTB4RLTB4R2PLA2G4BMAPTLMNA | |
| Hydrochloric Acid SCHEMBL8995021 | 0.93 | LTB4R (0.68) | LTB4RLTB4R2PLA2G4BMAPTPRSS1 | |
| SCHEMBL8994967 | 0.92 | LTB4R (0.63) | LTB4RLTB4R2PLA2G4BMAPTLMNA | |
| SCHEMBL9699613 | 0.88 | LTB4R (0.59) | LTB4RLTB4R2PLA2G4BMAPTLMNA | |
| Hydrochloric Acid SCHEMBL9701722 | 0.87 | LTB4R (0.58) | LTB4RLTB4R2PLA2G4BMAPTLMNA | |
| SCHEMBL9116638 | 0.86 | LTB4R (0.65) | LTB4RLTB4R2PLA2G4BMAPTLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5488160-A | LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS | CIBA-GEIGY CORPORATION (US) | 1996-01-30 | — | — | US | disclosed |
| US-5451700-A | Leukotriene inhibitors | CIBA-GEIGY CORPORATION (US) | 1995-09-19 | — | — | US | disclosed |
| EP-0518819-B1 | Amidino compounds, their manufacture and use as medicament | CIBA GEIGY AG (CH) | 1995-08-02 | — | — | EP | disclosed |