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 | |
|---|---|---|---|---|
| ▸ | ROCK1 known ✓ | Q13464 | 2/20 | 0.39 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 3/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | NOS2 | P35228 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 2/20 | 0.43 |
| ▸ | GABRD | O14764 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.43 |
| ▸ | GABRE | P78334 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL200134 | 0.84 | — | — | |
| SCHEMBL29606666 | 0.84 | — | — | |
| SCHEMBL6263123 | 0.84 | NOS3 (0.52) | NOS3NOS1NOS2KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL2104048 | 0.82 | — | — | |
| SCHEMBL27685402 | 0.81 | NOS3 (0.47) | NOS3NOS1NOS2KDM4EMEN1 | |
| SCHEMBL1255161 | 0.78 | NOS3 (0.44) | NOS3NOS1NOS2KDM4EMEN1 | |
| SCHEMBL27673210 | 0.71 | KDM4E (0.52) | NOS3NOS1NOS2KDM4EMEN1 | |
| 2-Aminopyridine SCHEMBL20877282 | 0.71 | NOS3 (0.67) | NOS3NOS1NOS2KDM4ENPC1 | |
| 2-Aminopyridine SCHEMBL29593240 | 0.71 | NOS3 (0.67) | NOS3NOS1NOS2KDM4ENPC1 | |
| 2-Aminopyridine SCHEMBL27965295 | 0.71 | NOS3 (0.67) | NOS3NOS1NOS2KDM4ENPC1 |
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 |