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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ARG1 | P05089 | 1/20 | 0.38 |
| ▸ | ARG2 | P78540 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1818746 | 0.94 | MEN1 (0.44) | MEN1KMT2ASMN1; SMN2ALDH1A1OPRM1 | |
| SCHEMBL2009700 | 0.94 | MEN1 (0.44) | MEN1KMT2ASMN1; SMN2ALDH1A1OPRM1 | |
| SCHEMBL1820560 | 0.94 | MEN1 (0.44) | MEN1KMT2ASMN1; SMN2ALDH1A1OPRM1 | |
| SCHEMBL1817609 | 0.92 | MEN1 (0.38) | MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL8190977 | 0.71 | ARG1 (0.51) | MEN1KMT2ASMN1; SMN2ALDH1A1OPRM1 | |
| SCHEMBL8843134 | 0.70 | SMN1; SMN2 (0.56) | MEN1KMT2ASMN1; SMN2ALDH1A1OPRM1 | |
| SCHEMBL28231556 | 0.69 | TSHR (0.56) | SMN1; SMN2ALDH1A1L3MBTL1TSHRMAPT | |
| SCHEMBL1818338 | 0.68 | TSHR (0.54) | SMN1; SMN2ALDH1A1L3MBTL1TSHRMAPT | |
| SCHEMBL1819631 | 0.68 | TSHR (0.54) | SMN1; SMN2ALDH1A1L3MBTL1TSHRMAPT | |
| SCHEMBL28884585 | 0.66 | ARG1 (0.55) | MEN1KMT2ASMN1; SMN2ALDH1A1OPRM1 |
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-2498782-A1 | CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS | Pharmatrophix Inc. (US) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011060262-A1 | CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS | PHARMATROPHIX, INC. (US) | 2011-05-19 | — | — | WO | disclosed |