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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1878772 | 0.94 | EPHX2 (0.33) | — | |
| SCHEMBL1888270 | 0.80 | GAA (0.38) | NPC1ALDH1A1GAAHPGDRAB9A | |
| SCHEMBL10798431 | 0.75 | — | — | |
| SCHEMBL10529046 | 0.74 | KDM1A (0.36) | — | |
| Hydrochloric Acid SCHEMBL5031179 | 0.74 | — | — | |
| SCHEMBL4598310 | 0.74 | ALDH1A1 (0.35) | ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL29651469 | 0.72 | CA4 (0.34) | — | |
| SCHEMBL10696019 | 0.72 | MCL1 (0.31) | — | |
| SCHEMBL27321016 | 0.69 | GAA (0.43) | NPC1ALDH1A1GAAHPGDRAB9A | |
| SCHEMBL12536864 | 0.68 | MAPT (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1931619-B1 | METHANESULPHONIC ACID SALT OF DIHYDROPHENYLGLYCINE METHYL ESTER OR OF PHENYLGLYCINE METHYL ESTER | DSM SINOCHEM PHARM NL BV (NL) | 2015-06-24 | — | — | EP | disclosed |
| US-20080249329-A1 | Process For Esterification Of An Organic Acid | DSM IP ASSETS B.V. (NL) | 2008-10-09 | — | — | US | disclosed |
| EP-1931619-A2 | PROCESS FOR ESTERIFICATION OF AN ORGANIC ACID | DSMIP Assets B.V. (NL) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007039522-A2 | PROCESS FOR ESTERIFICATION OF AN ORGANIC ACID | DSM IP ASSETS B.V. (NL) | 2007-04-12 | — | — | WO | disclosed |