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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 8/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.53 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.52 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.52 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL29774742 | 0.98 | CFTR (0.59) | CFTRGABRA1GABRB2PBRM1NR4A2 | |
| SCHEMBL30044842 | 0.91 | PBRM1 (0.64) | GABRA1GABRB2PBRM1NR4A2CREBBP | |
| SCHEMBL377150 | 0.91 | CFTR (0.67) | CFTRGABRA1GABRB2PBRM1NR4A2 | |
| SCHEMBL29551347 | 0.91 | CFTR (0.67) | CFTRGABRA1GABRB2PBRM1NR4A2 | |
| Hydrochloric Acid SCHEMBL29766716 | 0.89 | CFTR (0.65) | CFTRGABRA1GABRB2PBRM1NR4A2 | |
| Hydrochloric Acid SCHEMBL9046989 | 0.89 | CFTR (0.65) | CFTRGABRA1GABRB2PBRM1NR4A2 | |
| Hydrochloric Acid SCHEMBL30585295 | 0.89 | CFTR (0.65) | CFTRGABRA1GABRB2PBRM1NR4A2 | |
| Pyrazine SCHEMBL10716045 | 0.83 | CFTR (0.58) | CFTRGABRA1GABRB2PBRM1NR4A2 | |
| SCHEMBL64182 | 0.80 | GPR84 (0.77) | GABRA1GABRB2PBRM1NR4A2CREBBP | |
| SCHEMBL6052819 | 0.79 | CFTR (0.51) | CFTRGABRA1GABRB2PBRM1NR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392677-A2 | CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS | Wockhardt Limited (IN) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002085886-A2 | CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS | WOCKHARDT LIMITED (IN) | 2002-10-31 | — | — | WO | disclosed |