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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 9/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14764195 | 0.90 | ACHE (0.49) | TDP1L3MBTL1KDM4EALDH1A1ACHE | |
| Bromide SCHEMBL20541445 | 0.89 | TDP1 (0.58) | TDP1L3MBTL1ACHECHRM2 | |
| Bromide SCHEMBL20541546 | 0.89 | TDP1 (0.58) | TDP1L3MBTL1ACHECHRM2 | |
| Bromide SCHEMBL20541389 | 0.89 | TDP1 (0.58) | TDP1L3MBTL1ACHECHRM2 | |
| Bromide SCHEMBL20541913 | 0.89 | TDP1 (0.58) | TDP1L3MBTL1ACHECHRM2 | |
| Bromide SCHEMBL1579652 | 0.89 | TDP1 (0.58) | TDP1L3MBTL1ACHECHRM2 | |
| Bromide SCHEMBL1325100 | 0.87 | TDP1 (0.55) | TDP1L3MBTL1ACHECYP1A2CYP2C19 | |
| Bromide SCHEMBL517469 | 0.83 | TDP1 (0.53) | TDP1L3MBTL1CHRM2CYP1A2CYP2C19 | |
| Bromide SCHEMBL29425571 | 0.83 | TDP1 (0.53) | TDP1L3MBTL1CHRM2CYP1A2CYP2C19 | |
| SCHEMBL14764001 | 0.79 | ALDH1A1 (0.49) | TDP1L3MBTL1KDM4EALDH1A1ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013036766-A1 | SMALL MOLECULE NAPHTHOQUINONE- AND PHTHALIMIDE-BASED LIPOCATIONS AS ANTI-PARASITIC AGENTS | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2013-03-14 | — | — | WO | disclosed |