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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.43 |
| ▸ | TMPRSS15 | P98073 | 2/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.41 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9547448 | 0.83 | ALDH1A1 (0.55) | PRSS1LTB4RKDM4ELMNAALDH1A1 | |
| SCHEMBL9547430 | 0.79 | LTB4R (0.55) | PRSS1LTB4RKDM4ELMNAALDH1A1 | |
| SCHEMBL9547471 | 0.79 | LTB4R (0.52) | PRSS1LTB4RKDM4ELMNAALDH1A1 | |
| SCHEMBL9547462 | 0.78 | ALDH1A1 (0.52) | PRSS1LTB4RKDM4ELMNAALDH1A1 | |
| SCHEMBL9170910 | 0.74 | PRMT1 (0.47) | PRSS1LMNAMAPTRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL9171995 | 0.73 | PRSS1 (0.49) | PRSS1LMNAMAPTRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL8984186 | 0.73 | PRSS1 (0.49) | PRSS1LMNAMAPTRAB9ANPC1 | |
| SCHEMBL9547468 | 0.72 | LTB4R (0.61) | PRSS1LTB4RKDM4ELMNAALDH1A1 | |
| SCHEMBL9547435 | 0.72 | LTB4R (0.61) | PRSS1LTB4RKDM4ELMNAALDH1A1 | |
| SCHEMBL12461764 | 0.71 | PRSS1 (0.46) | PRSS1ADRA1A |
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 |