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 | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 2/20 | 0.41 |
| ▸ | SDHB | P21912 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7426992 | 0.87 | BPTF (0.36) | SLC9A1SDHBXDHALDH1A1RAB9A | |
| SCHEMBL7440162 | 0.86 | SLC9A1 (0.41) | SLC9A1IDO1KMOMAPTPTGS2 | |
| SCHEMBL7440585 | 0.84 | ALPL (0.37) | ALDH1A1NPC1RAB9AMAPTPTGS1 | |
| SCHEMBL7439221 | 0.78 | MEN1 (0.35) | IDO1METAP2ALDH1A1RAB9AMAPT | |
| SCHEMBL7438850 | 0.76 | SCN9A (0.40) | SLC9A1SDHBIDO1METAP2XDH | |
| SCHEMBL7433733 | 0.74 | DHODH (0.48) | SLC9A1IDO1METAP2XDHKMO | |
| SCHEMBL9603801 | 0.72 | SLC9A1 (0.44) | SLC9A1KMOPIN1MAPTHDAC1 | |
| SCHEMBL7434800 | 0.72 | SLC9A1 (0.41) | SLC9A1SDHBIDO1METAP2XDH | |
| SCHEMBL7489817 | 0.70 | JAK2 (0.52) | KMOALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL7437048 | 0.69 | ATP4A (0.51) | IDO1METAP2ALDH1A1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0506194-B1 | 4-aryl-thiazole or imidazole derivatives | AKZO NOBEL NV (NL) | 1996-08-21 | — | — | EP | disclosed |
| US-5462959-A | 4-aryl-imidazole derivatives | AKZO N.V. (NL) | 1995-10-31 | — | — | US | disclosed |
| US-5254575-A | 4-aryl-thiazole derivatives | AKZO N.V. (NL) | 1993-10-19 | — | — | US | disclosed |
| EP-0506194-A1 | 4-aryl-thiazole or imidazole derivatives | Akzo Nobel N.V. (NL) | 1992-09-30 | — | — | EP | disclosed |