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 | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 2/20 | 0.48 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.48 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.48 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.48 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.48 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.48 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.48 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.48 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.62 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.56 |
| ▸ | KLK1 | P06870 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8994932 | 0.85 | LTB4R (0.65) | LTB4RLTB4R2ALDH1A1LMNAPOLB | |
| SCHEMBL8994934 | 0.84 | LTB4R (0.43) | LTB4RLTB4R2KLK1ALDH1A1HTT | |
| SCHEMBL9117722 | 0.84 | LTB4R (0.75) | LTB4RLTB4R2ALDH1A1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL8994958 | 0.84 | LTB4R (0.76) | LTB4RLTB4R2PRMT1F2ST14 | |
| SCHEMBL8994920 | 0.83 | LTB4R (0.50) | LTB4RLTB4R2KLK1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL8994935 | 0.83 | LTB4R (0.73) | LTB4RLTB4R2ALDH1A1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL8995007 | 0.82 | LTB4R (0.79) | LTB4RLTB4R2PRMT1F2ST14 | |
| Moxilubant SCHEMBL8994979 | 0.81 | LTB4R (0.92) | LTB4RLTB4R2ALDH1A1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL8995080 | 0.81 | LTB4R (0.62) | LTB4RLTB4R2ALDH1A1LMNAPOLB | |
| SCHEMBL9118036 | 0.79 | LTB4R (0.72) | LTB4RLTB4R2PRMT1F2ST14 |
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 |