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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | CCR1 | P32246 | 2/20 | 0.53 |
| ▸ | CCR5 | P51681 | 2/20 | 0.53 |
| ▸ | CCR8 | P51685 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALPL | P05186 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | ALPI | P09923 | 1/20 | 0.53 |
| ▸ | ALPG | P10696 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.47 |
| ▸ | PADI3 | Q9ULW8 | 1/20 | 0.47 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.47 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL489080 | 0.86 | KDM4E (0.71) | KDM4ELMNAALOX15L3MBTL1TDP1 | |
| SCHEMBL30215997 | 0.86 | KDM4E (0.71) | KDM4ELMNAALOX15L3MBTL1TDP1 | |
| Hydrochloric Acid SCHEMBL30439801 | 0.84 | KDM4E (0.68) | KDM4ELMNAALOX15L3MBTL1TDP1 | |
| SCHEMBL11651772 | 0.81 | KDM4E (0.47) | KDM4ELMNAALOX15L3MBTL1TDP1 | |
| 2-Aminopyridine SCHEMBL27965295 | 0.81 | NOS3 (0.67) | KDM4ELMNATDP1SMN1; SMN2NOS3 | |
| 2-Aminopyridine SCHEMBL29593240 | 0.81 | NOS3 (0.67) | KDM4ELMNATDP1SMN1; SMN2NOS3 | |
| 2-Aminopyridine SCHEMBL20877282 | 0.81 | NOS3 (0.67) | KDM4ELMNATDP1SMN1; SMN2NOS3 | |
| Dipyridyl SCHEMBL27645628 | 0.77 | KDM4E (0.64) | KDM4ELMNAALOX15L3MBTL1TDP1 | |
| Terpyridine SCHEMBL30610403 | 0.76 | KDM4E (0.90) | KDM4ELMNAALOX15L3MBTL1TDP1 | |
| Dipyridyl SCHEMBL27903420 | 0.76 | KDM4E (0.70) | KDM4ELMNAALOX15L3MBTL1TDP1 |
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-2467137-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2012-06-27 | — | — | EP | disclosed |
| WO-2011022473-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2011-02-24 | — | — | WO | disclosed |