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 | 10/20 | 0.46 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 2/20 | 0.57 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | PLG | P00747 | 1/20 | 0.46 |
| ▸ | PLAT | P00750 | 1/20 | 0.46 |
| ▸ | PROC | P04070 | 1/20 | 0.46 |
| ▸ | HPN | P05981 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.46 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.44 |
| ▸ | KLK1 | P06870 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9901594 | 0.97 | NQO2 (0.60) | NQO2F2SLC22A2F10PLG | |
| Hydrochloric Acid SCHEMBL9902965 | 0.96 | NQO2 (0.59) | NQO2F2SLC22A2F10PLG | |
| Oxalic Acid SCHEMBL9901233 | 0.95 | NQO2 (0.58) | NQO2F2SLC22A2F10PLG | |
| SCHEMBL9901472 | 0.94 | NQO2 (0.53) | NQO2F2SLC22A2F10PLG | |
| SCHEMBL15286627 | 0.89 | F2 (0.56) | NQO2F2SLC22A2F10PLG | |
| SCHEMBL15142160 | 0.88 | NQO2 (0.48) | NQO2F2KLK1KLK5ALDH1A1 | |
| SCHEMBL15562469 | 0.87 | F2 (0.47) | NQO2F2SLC22A2F10PLG | |
| Hydrochloric Acid SCHEMBL15141690 | 0.87 | NQO2 (0.47) | NQO2F2KLK1KLK5ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7447095 | 0.87 | NQO2 (0.54) | NQO2F2SLC22A2F10PLG | |
| SCHEMBL9901721 | 0.86 | NQO2 (0.46) | NQO2F2SLC22A2F10PLG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2978750-B1 | \"SYNTHESIS OF DABIGATRAN\ | USV PRIVATE LTD (IN) | 2020-03-04 | — | — | EP | disclosed |
| EP-2978750-A2 | \"SYNTHESIS OF DABIGATRAN\ | USV Limited (IN) | 2016-02-03 | — | — | EP | disclosed |
| WO-2014167577-A2 | \"SYNTHESIS OF DABIGATRAN\ | USV LIMITED (IN) | 2014-10-16 | — | — | WO | disclosed |