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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.47 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL105262 | 0.90 | IRAK4 (0.55) | IRAK4KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL31632660 | 0.90 | IRAK4 (0.55) | IRAK4KDM4EALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL28294057 | 0.88 | IRAK4 (0.53) | IRAK4KDM4EALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL7849679 | 0.88 | IRAK4 (0.53) | IRAK4KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL22462484 | 0.86 | TSHR (0.52) | IRAK4KDM4EALDH1A1MAPTHPGD | |
| Formic Acid SCHEMBL15389360 | 0.83 | IRAK4 (0.49) | L3MBTL1IRAK4KDM4EALDH1A1MAPT | |
| Phosphonic Acid SCHEMBL16236589 | 0.83 | IRAK4 (0.49) | IRAK4KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL9783644 | 0.80 | IRAK4 (0.53) | L3MBTL1IRAK4KDM4EALDH1A1MAPT | |
| Methanesulfonamide SCHEMBL27566932 | 0.80 | IRAK4 (0.39) | L3MBTL1IRAK4SLC9A1KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3299438 | 0.79 | IRAK4 (0.45) | L3MBTL1IRAK4KDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-109743875-A | The inhibitor of MENIN-MLL interaction | 生命医药公司 | 2019-05-10 | — | — | CN | disclosed |