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 | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | EEF2K | O00418 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGAV | P06756 | 1/20 | 0.45 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.43 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2300538 | 0.93 | ALDH1A1 (0.59) | ALDH1A1ATML3MBTL1EEF2KMAPT | |
| SCHEMBL1144429 | 0.93 | ALDH1A1 (0.59) | ALDH1A1ATML3MBTL1EEF2KMAPT | |
| SCHEMBL167045 | 0.93 | ALDH1A1 (0.59) | ALDH1A1ATML3MBTL1EEF2KMAPT | |
| SCHEMBL1144057 | 0.83 | ALDH1A1 (0.55) | ALDH1A1ATML3MBTL1EEF2KMAPT | |
| SCHEMBL24115263 | 0.80 | ALDH1A1 (0.57) | ALDH1A1ATMMAPTKDM4ELMNA | |
| SCHEMBL13593226 | 0.80 | ALDH1A1 (0.57) | ALDH1A1ATMMAPTKDM4ELMNA | |
| SCHEMBL13851783 | 0.79 | CTSA (0.51) | ALDH1A1HPGDKMT2ACYP26A1 | |
| SCHEMBL17773011 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ATML3MBTL1EEF2KMAPT | |
| SCHEMBL15787300 | 0.79 | CYP26A1 (0.54) | ALDH1A1ATML3MBTL1MAPTKDM4E | |
| SCHEMBL1528607 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ATML3MBTL1EEF2KMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20040023344-A1 | Method for producing an optically activ beta-amino acid | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-02-05 | — | — | US | disclosed |