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 | |
|---|---|---|---|---|
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.39 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.39 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.38 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.38 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 4/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27314003 | 0.93 | BLM (0.49) | CYP24A1BLMCYP2C19PPARAPPARG | |
| SCHEMBL9515271 | 0.85 | BLM (0.46) | BLMCYP2C19MEN1KMT2AGHSR | |
| SCHEMBL407788 | 0.79 | SLC6A2 (0.57) | BLMCYP2C19PPARAPPARGMEN1 | |
| SCHEMBL407787 | 0.79 | SLC6A2 (0.57) | BLMCYP2C19PPARAPPARGMEN1 | |
| SCHEMBL5268840 | 0.79 | SLC6A2 (0.57) | BLMCYP2C19PPARAPPARGMEN1 | |
| SCHEMBL27310687 | 0.78 | NPC1 (0.51) | PPARGMEN1KMT2ANPC1MAOB | |
| Hydrochloric Acid SCHEMBL28585467 | 0.77 | SLC6A2 (0.55) | BLMCYP2C19PPARAPPARGMEN1 | |
| Hydrochloric Acid SCHEMBL28585466 | 0.77 | SLC6A2 (0.55) | BLMCYP2C19PPARAPPARGMEN1 | |
| Benzene SCHEMBL27309681 | 0.77 | ALDH1A1 (0.44) | BLMNPC1MMP1MMP9MMP13 | |
| SCHEMBL7403762 | 0.76 | PLA2G10 (0.53) | BLMCYP2C19MEN1KMT2AEGFR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1027588-C | Process for the preparation of N-phenylalkyl substituted alpha-aminocarboxamide derivatives | ERBA CARLO SPA (IT) | 1995-02-08 | — | — | CN | disclosed |
| CN-1047496-A | The preparation method of the alpha-amino group Carboxylamide derivatives that N-benzene alkyl replaces | ERBA CARLO SPA (IT) | 1990-12-05 | — | — | CN | disclosed |