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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.85 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.85 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.85 |
| ▸ | MAPT | P10636 | 3/20 | 0.85 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.85 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.85 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.85 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.85 |
| ▸ | LMNA | P02545 | 2/20 | 0.85 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.85 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.85 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.85 |
| ▸ | BLM | P54132 | 1/20 | 0.85 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.85 |
| ▸ | GRIA2 | P42262 | 3/20 | 0.56 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6995439 | 0.92 | MEN1 (1.00) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29389227 | 0.92 | MEN1 (1.00) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10552818 | 0.91 | MEN1 (0.98) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7399903 | 0.81 | MAPT (0.68) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4169703 | 0.80 | CYP3A4 (0.76) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4165339 | 0.80 | CYP3A4 (0.76) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4165350 | 0.80 | CYP3A4 (0.76) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7399357 | 0.79 | MAPT (0.64) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5416306 | 0.79 | MAPT (0.71) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5416313 | 0.79 | MAPT (0.71) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4835152-A | CENTRAL NERVOUS SYSTEM STIMULANTS | BIOGAL GYOGYSZERGYAR (HU) | 1989-05-30 | — | — | US | claimed |
| EP-0565557-A1 | 1-(4-ACYLAMINOPHENYL)-7,8-METHYLENEDIOXY-5H-2,3-BENZO-DIAZEPINE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME | GYOGYSZERKUTATO INTEZET K.V. (HU) | 1993-10-20 | — | — | EP | disclosed |
| WO-1992011262-A1 | 1-(4-ACYLAMINOPHENYL)-7,8-METHYLENEDIOXY-5H-2,3-BENZO-DIAZEPINE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME | GYÓGYSZERKUTATÓ INTÉZET K.V. (HU) | 1992-07-09 | — | — | WO | disclosed |
| US-4835152-A | CENTRAL NERVOUS SYSTEM STIMULANTS | BIOGAL GYOGYSZERGYAR (HU) | 1989-05-30 | — | — | US | disclosed |