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 | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL183159 | 0.86 | NOS3 (0.46) | TDP1HSD11B1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL28202486 | 0.84 | NOS3 (0.45) | TDP1HSD11B1NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL29857654 | 0.84 | NOS3 (0.45) | TDP1HSD11B1NOS3NOS1NOS2 | |
| Formic Acid SCHEMBL31491080 | 0.83 | NAPRT (0.42) | GAATDP1HSD11B1NOS3NOS1 | |
| Trifluoroacetic Acid SCHEMBL30699729 | 0.81 | NAPRT (0.49) | HSD11B1DHODHHDAC6NFE2L2NAPRT | |
| Trifluoroacetic Acid SCHEMBL31491047 | 0.76 | NAPRT (0.44) | HSD11B1DHODHHDAC6NFE2L2NAPRT | |
| SCHEMBL8430567 | 0.74 | NFE2L2 (0.52) | SLC22A12GAATDP1SLC40A1HSD11B1 | |
| SCHEMBL2375522 | 0.73 | HSD11B1 (0.41) | SLC22A12SLC40A1HSD11B1NFE2L2 | |
| SCHEMBL8430463 | 0.72 | NFE2L2 (0.51) | SLC22A12GAATDP1SLC40A1HSD11B1 | |
| Hydrochloric Acid SCHEMBL27792294 | 0.72 | NFE2L2 (0.51) | SLC22A12GAATDP1SLC40A1HSD11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011022473-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2011-02-24 | — | — | WO | disclosed |