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 | 0.46 |
| ▸ | ROCK2 known ✓ | O75116 | 3/20 | 0.40 |
| ▸ | ROCK1 known ✓ | Q13464 | 3/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.40 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.40 |
| ▸ | PRKX | P51817 | 1/20 | 0.40 |
| ▸ | PRKG1 | Q13976 | 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 | |
|---|---|---|---|---|
| SCHEMBL3964533 | 0.92 | EPHX1 (0.79) | EPHX1KMT2AMEN1TAAR1MAPK1 | |
| SCHEMBL10433409 | 0.92 | EPHX1 (0.79) | EPHX1KMT2AMEN1TAAR1MAPK1 | |
| SCHEMBL2703617 | 0.92 | EPHX1 (0.79) | EPHX1KMT2AMEN1TAAR1MAPK1 | |
| SCHEMBL29257172 | 0.81 | EPHX1 (1.00) | EPHX1KMT2AMEN1TAAR1MAPK1 | |
| SCHEMBL11043356 | 0.79 | EPHX1 (0.63) | EPHX1KMT2AMEN1TAAR1MAPK1 | |
| SCHEMBL7509446 | 0.78 | EPHX1 (0.79) | EPHX1KMT2AMEN1TAAR1MAPK1 | |
| SCHEMBL6316970 | 0.76 | EPHX1 (0.73) | EPHX1KMT2AMEN1TAAR1MAPK1 | |
| SCHEMBL12681300 | 0.75 | EPHX1 (0.79) | EPHX1KMT2AMEN1TAAR1SLC6A4 | |
| SCHEMBL29800395 | 0.74 | EPHX1 (0.71) | EPHX1KMT2AMEN1TAAR1SLC6A4 | |
| SCHEMBL11044501 | 0.73 | TRPA1 (0.47) | KMT2AMEN1TAAR1MAPK1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4490165-A | Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof | AMERICAN CYANAMID COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| US-4308213-A | Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds | AMERICAN CYANAMID COMPANY (US) | 1981-12-29 | — | — | US | disclosed |