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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | KLK1 | P06870 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9700776 | 0.88 | LTB4R (0.37) | LTB4RLTB4R2HDAC1HDAC2HDAC6 | |
| SCHEMBL9119999 | 0.87 | LTB4R (0.46) | LTB4RLTB4R2HDAC1HDAC2HDAC6 | |
| Hydrochloric Acid SCHEMBL8994939 | 0.86 | LTB4R (0.45) | LTB4RLTB4R2HDAC1HDAC2HDAC6 | |
| Hydrochloric Acid SCHEMBL8994965 | 0.85 | LTB4R (0.55) | LTB4RLTB4R2HDAC1HDAC2HDAC6 | |
| SCHEMBL9117727 | 0.84 | LTB4R (0.52) | LTB4RLTB4R2ALDH1A1 | |
| SCHEMBL8994929 | 0.84 | LTB4R (0.62) | LTB4RLTB4R2KLK1HTTKDM4E | |
| Hydrochloric Acid SCHEMBL8995013 | 0.83 | LTB4R (0.56) | LTB4RLTB4R2HDAC1HDAC2HDAC6 | |
| Hydrochloric Acid SCHEMBL8994941 | 0.83 | LTB4R (0.51) | LTB4RLTB4R2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8995087 | 0.81 | LTB4R (0.41) | LTB4RLTB4R2HDAC1HDAC2HDAC6 | |
| SCHEMBL8994985 | 0.81 | LTB4R (0.68) | LTB4RLTB4R2HDAC1HDAC2HDAC6 |
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 |