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 | 3/20 | 0.53 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.52 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.52 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.52 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.52 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.52 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.52 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.52 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.52 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.52 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.52 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.63 |
| ▸ | PRSS1 | P07477 | 8/20 | 0.60 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.57 |
| ▸ | ST14 | Q9Y5Y6 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9547437 | 0.97 | LTB4R (0.59) | LTB4RPRSS1LTB4R2F2ST14 | |
| SCHEMBL9547436 | 0.90 | PRSS1 (0.63) | LTB4RPRSS1F2ST14PLAU | |
| SCHEMBL9547428 | 0.89 | LTB4R (0.60) | LTB4RPRSS1LTB4R2F2ST14 | |
| SCHEMBL9547468 | 0.89 | LTB4R (0.61) | LTB4RPRSS1LTB4R2F2ST14 | |
| SCHEMBL9547435 | 0.89 | LTB4R (0.61) | LTB4RPRSS1LTB4R2F2ST14 | |
| SCHEMBL9547430 | 0.89 | LTB4R (0.55) | LTB4RPRSS1LTB4R2F2ST14 | |
| SCHEMBL9547469 | 0.87 | LTB4R (0.59) | LTB4RPRSS1F2ST14ALDH1A1 | |
| SCHEMBL9547471 | 0.86 | LTB4R (0.52) | LTB4RPRSS1LTB4R2F2ST14 | |
| SCHEMBL9547454 | 0.84 | LTB4R (0.60) | LTB4RPRSS1LTB4R2F2ST14 | |
| SCHEMBL9547457 | 0.84 | PRSS1 (0.78) | LTB4RPRSS1LTB4R2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5246965-A | Leukotriene antagonist | CIBA-GEIGY (US) | 1993-09-21 | — | — | US | disclosed |
| EP-0518818-A2 | Arylethers, their manufacture and use as medicament | CIBA-GEIGY AG (CH) | 1992-12-16 | — | — | EP | disclosed |