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 | 1/20 | 0.33 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CNR1 | P21554 | 4/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL5792354 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CNR1CNR2RGS12GMNN | |
| SCHEMBL4089485 | 0.96 | SSTR4 (0.35) | ALDH1A1CNR1CNR2RGS12GMNN | |
| SCHEMBL31318123 | 0.80 | CNR1 (0.55) | ALDH1A1CNR1CNR2RGS12GMNN | |
| SCHEMBL5792357 | 0.80 | CNR1 (0.55) | ALDH1A1CNR1CNR2RGS12GMNN | |
| SCHEMBL3011354 | 0.80 | CNR1 (0.55) | ALDH1A1CNR1CNR2RGS12GMNN | |
| SCHEMBL31318122 | 0.75 | CNR1 (0.52) | ALDH1A1CNR1CNR2RGS12GMNN | |
| SCHEMBL3176889 | 0.75 | CNR1 (0.52) | ALDH1A1CNR1CNR2RGS12GMNN | |
| SCHEMBL4089479 | 0.75 | CNR1 (0.52) | ALDH1A1CNR1CNR2RGS12GMNN | |
| SCHEMBL3176900 | 0.69 | SSTR4 (0.35) | ALDH1A1CNR1CNR2SSTR4NPC1 | |
| SCHEMBL7024508 | 0.58 | CNR1 (0.42) | ALDH1A1CNR1CNR2RGS12GMNN |
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 |
|---|---|---|---|---|---|---|---|
| EP-2409149-B1 | METHODS OF SCREENING USING AMPHIBIANS | BRÄNDLI ANDRÉ W (CH) | 2015-11-11 | — | — | EP | disclosed |