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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HAT1 | O14929 | 1/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11851234 | 0.92 | CYP3A4 (0.48) | HDAC8CYP1A2CYP3A4CYP2D6MEN1 | |
| SCHEMBL11853188 | 0.90 | SLC6A4 (0.50) | HDAC8CYP1A2CYP3A4CYP2D6MEN1 | |
| SCHEMBL11853217 | 0.86 | MEN1 (0.41) | CYP1A2CYP2D6MEN1KMT2ACYP2C19 | |
| SCHEMBL11856524 | 0.86 | CYP1A2 (0.46) | HDAC8CYP1A2CYP3A4CYP2D6MEN1 | |
| SCHEMBL11852068 | 0.84 | CYP1A2 (0.46) | HDAC8CYP1A2CYP3A4CYP2D6MEN1 | |
| SCHEMBL11848347 | 0.84 | PPARG (0.43) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL11861972 | 0.84 | CYP1A2 (0.48) | HDAC8CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3371157 | 0.81 | IDO1 (0.44) | HDAC8CYP1A2CYP3A4CYP2D6MEN1 | |
| SCHEMBL11858966 | 0.81 | MTNR1A (0.46) | CYP1A2CYP2D6MEN1KMT2ACYP2C19 | |
| SCHEMBL11858404 | 0.81 | HDAC8 (0.45) | HDAC8CYP1A2CYP3A4CYP2D6MEN1 |
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-3991201-A | 1-(β-Aryl-β-R-ethyl)imidazoles as antimicrobial agents | JANSSEN PHARMACEUTICA N.V. (BE) | 1976-11-09 | — | — | US | disclosed |