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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9596715 | 1.00 | CYP2D6 (0.41) | CYP2D6KMT2ALMNAPMP22MEN1 | |
| SCHEMBL5745441 | 1.00 | CYP2D6 (0.41) | CYP2D6KMT2ALMNAPMP22MEN1 | |
| SCHEMBL9099058 | 0.91 | OPRD1 (0.44) | CYP2D6KMT2AOPRD1SLC6A9OPRL1 | |
| SCHEMBL2278150 | 0.91 | OPRD1 (0.44) | CYP2D6KMT2AOPRD1SLC6A9OPRL1 | |
| SCHEMBL14663793 | 0.91 | OPRD1 (0.44) | CYP2D6KMT2AOPRD1SLC6A9OPRL1 | |
| SCHEMBL24802139 | 0.91 | OPRD1 (0.44) | CYP2D6KMT2AOPRD1SLC6A9OPRL1 | |
| SCHEMBL5454645 | 0.91 | OPRD1 (0.44) | CYP2D6KMT2AOPRD1SLC6A9OPRL1 | |
| SCHEMBL9107441 | 0.91 | OPRD1 (0.44) | CYP2D6KMT2AOPRD1SLC6A9OPRL1 | |
| SCHEMBL5454649 | 0.91 | OPRD1 (0.44) | CYP2D6KMT2AOPRD1SLC6A9OPRL1 | |
| SCHEMBL14663792 | 0.91 | OPRD1 (0.44) | CYP2D6KMT2AOPRD1SLC6A9OPRL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5183902-A | Muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-02-02 | — | — | US | disclosed |
| US-5151418-A | Muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-09-29 | — | — | US | disclosed |
| US-5068231-A | Ureas and thioureas for relaxing muscles | A. H. ROBINS COMPANY INCORPORATED (US) | 1991-11-26 | — | — | US | disclosed |
| US-4956359-A | CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES | A. H. ROBINS COMPANY, INC. (US) | 1990-09-11 | — | — | US | disclosed |
| EP-0194112-B1 | 3-ARYL-OXYAZETIDINECARBOXAMIDES HAVING ANTI-MUSCLE TENSION, ANTI-MUSCLE SPASTICITY, ANTICONVULSANT AND ANTIEPILECTIC ACTIVITY | A.H. ROBINS COMPANY, INCORPORATED (US) | 1990-05-23 | — | — | EP | disclosed |
| EP-0194112-A1 | 3-Aryl-oxyazetidinecarboxamides having anti-muscle tension, anti-muscle spasticity, anticonvulsant and antiepilectic activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1986-09-10 | — | — | EP | disclosed |