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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 6/20 | 0.61 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.61 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.61 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.61 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.61 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | RXRA | P19793 | 1/20 | 0.56 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.56 |
| ▸ | F10 | P00742 | 2/20 | 0.56 |
| ▸ | F7 | P08709 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9547469 | 0.85 | LTB4R (0.59) | F2PRSS1ST14KDM4EALDH1A1 | |
| SCHEMBL9547440 | 0.85 | ALDH1A1 (0.55) | F2PRSS1ST14KDM4EALDH1A1 | |
| SCHEMBL9547435 | 0.84 | LTB4R (0.61) | F2PRSS1ST14KDM4EALDH1A1 | |
| SCHEMBL9547468 | 0.84 | LTB4R (0.61) | F2PRSS1ST14KDM4EALDH1A1 | |
| SCHEMBL10923301 | 0.80 | F2 (0.64) | F2PRSS1PRSS2PRSS3TMPRSS6 | |
| SCHEMBL14543642 | 0.78 | F2 (1.00) | F2PRSS1PRSS2PRSS3TMPRSS6 | |
| SCHEMBL9547443 | 0.77 | PRMT1 (0.57) | F2PRSS1ST14KDM4EALDH1A1 | |
| SCHEMBL7660870 | 0.77 | PTGER1 (0.53) | F2PRSS1KDM4EALDH1A1MAPT | |
| SCHEMBL6629683 | 0.77 | F2 (0.83) | F2PRSS1PRSS2PRSS3TMPRSS6 | |
| Hydrochloric Acid SCHEMBL23541143 | 0.77 | F2 (1.00) | F2PRSS1PRSS2PRSS3TMPRSS6 |
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 |