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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.43 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27486778 | 0.89 | TAAR1 (0.48) | SMN1; SMN2NPC1RAB9ATAAR1MEN1 | |
| Ethane SCHEMBL8092722 | 0.86 | TAAR1 (0.56) | SMN1; SMN2NPC1RAB9ATAAR1KMT2A | |
| SCHEMBL150608 | 0.86 | — | — | |
| SCHEMBL1617034 | 0.85 | POLB (0.46) | SMN1; SMN2RAB9AMEN1LMNAKMT2A | |
| Propane SCHEMBL8088262 | 0.84 | TAAR1 (0.54) | SMN1; SMN2NPC1RAB9ATAAR1MEN1 | |
| Methane SCHEMBL8089297 | 0.84 | — | — | |
| SCHEMBL28482425 | 0.84 | — | — | |
| SCHEMBL27822978 | 0.84 | — | — | |
| SCHEMBL2485275 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9AMEN1LMNA | |
| SCHEMBL3982587 | 0.83 | TSHR (0.52) | SMN1; SMN2TAAR1HPGDADRA2AADRA2B |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734651-A | Alfentanil, sufentanil preparation method and be used to prepare the compound of alfentanil, sufentanil | 江苏恩华药业股份有限公司 | 2019-05-10 | — | — | CN | claimed |
| CN-106336374-A | Method for preparing alfentanil and sufentanil and compound for preparing alfentanil and sufentanil | 江苏恩华药业股份有限公司 | 2017-01-18 | — | — | CN | claimed |
| CN-109734651-A | Alfentanil, sufentanil preparation method and be used to prepare the compound of alfentanil, sufentanil | 江苏恩华药业股份有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-106336374-A | Method for preparing alfentanil and sufentanil and compound for preparing alfentanil and sufentanil | 江苏恩华药业股份有限公司 | 2017-01-18 | — | — | CN | disclosed |
| EP-2455377-B1 | Synthesis of fentanyl analogs | HAMELN RDS GMBH (DE) | 2014-07-09 | — | — | EP | disclosed |
| CN-102558138-A | Preparation method for 2-halogenated phenyl-2-(2-thiophene diethylamino) acetic ester and salt thereof | HUBEI CHENGTIAN PHARMACEUTICAL CO LTD | 2012-07-11 | — | — | CN | disclosed |
| EP-2455377-A1 | Synthesis of fentanyl analogs | hameln rds gmbh (DE) | 2012-05-23 | — | — | EP | disclosed |
| WO-2008005423-A1 | IMPROVED METHOD OF MAKING SUFENTANIL | CAMBREX CHARLES CITY, INC. (US) | 2008-01-10 | — | — | WO | disclosed |
| US-7208604-B2 | Methods for the synthesis of alfentanil, sufentanil, and remifentanil | MALLINCKRODT INC. (US) | 2007-04-24 | — | — | US | disclosed |
| EP-1246801-B1 | METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL | MALLINCKRODT INC (US) | 2006-09-20 | — | — | EP | disclosed |
| US-7074935-B2 | Methods for the syntheses of alfentanil, sufentanil and remifentanil | MALLINCKRODT INC. (US) | 2006-07-11 | — | — | US | disclosed |
| US-5461050-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-10-24 | — | — | US | disclosed |
| WO-1995009152-A1 | PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE | MALLINCKRODT CHEMICAL, INC. (US) | 1995-04-06 | — | — | WO | disclosed |
| EP-0588859-A1 | Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-03-30 | — | — | EP | disclosed |
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| WO-1992022553-A1 | IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-12-23 | — | — | WO | disclosed |
| EP-0518434-A1 | Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-12-16 | — | — | EP | disclosed |
| US-4839374-A | TREATING ALLERGIES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1989-06-13 | — | — | US | disclosed |
| US-4695575-A | ANTIHISTAMINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-09-22 | — | — | US | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |