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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | MGAM | O43451 | 1/20 | 0.58 |
| ▸ | SI | P14410 | 1/20 | 0.58 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPRB | P23467 | 1/20 | 0.35 |
| ▸ | ACP1 | P24666 | 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 | |
|---|---|---|---|---|
| SCHEMBL124734 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL2464104 | 0.89 | GAA (0.67) | GAAMGAMSIMGAM2ALOX15 | |
| Formic Acid SCHEMBL28806091 | 0.83 | GAA (0.58) | GAAMGAMSIMGAM2ALOX15 | |
| Ethyl Propionate SCHEMBL27596690 | 0.79 | GAA (0.59) | GAAMGAMSIMGAM2ALOX15 | |
| Ethyl Propionate SCHEMBL27818615 | 0.77 | GAA (0.56) | GAAMGAMSIMGAM2ALOX15 | |
| SCHEMBL28853156 | 0.77 | GAA (0.56) | GAAMGAMSIMGAM2ALOX15 | |
| SCHEMBL4650134 | 0.77 | CYP1A2 (0.61) | GAAMGAMSIMGAM2ALOX15 | |
| Malonic Acid Diethyl Ester SCHEMBL3823348 | 0.77 | GAA (0.79) | GAAMGAMSIMGAM2ALOX15 | |
| Malonic Acid Diethyl Ester SCHEMBL9807223 | 0.76 | GAA (0.68) | GAAMGAMSIMGAM2ALOX15 | |
| Sulfuric Acid SCHEMBL11061931 | 0.76 | GAA (0.61) | GAAMGAMSIMGAM2ALOX15 |
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-1968949-A1 | IMPROVED PROCESS FOR THE PREPARATION OF THE SALTS OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES | Boehringer Ingelheim International GmbH (DE) | 2008-09-17 | — | — | EP | disclosed |
| EP-1966171-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES AND THE SALTS THEREOF | Boehringer Ingelheim International GmbH (DE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071742-A1 | IMPROVED PROCESS FOR THE PREPARATION OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES AND THE SALTS THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-06-28 | — | — | WO | disclosed |
| WO-2007071743-A1 | IMPROVED PROCESS FOR THE PREPARATION OF THE SALTS OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-06-28 | — | — | WO | disclosed |