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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 3/20 | 0.45 |
| ▸ | MMP13 | P45452 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | MMP8 | P22894 | 2/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11705595 | 0.90 | ABCB11 (0.51) | CA1CA2ABCB11ALDH1A1GAA | |
| SCHEMBL1587369 | 0.80 | ABCB11 (0.49) | CA1CA2ABCB11ALDH1A1GAA | |
| SCHEMBL28745216 | 0.79 | NPC1 (0.45) | CA1CA2ABCB11ACHEALDH1A1 | |
| SCHEMBL16460404 | 0.78 | CA1 (0.45) | CA1CA2ABCB11ACHEALDH1A1 | |
| SCHEMBL8903433 | 0.78 | ABCB11 (0.47) | CA1CA2ABCB11ALDH1A1GAA | |
| SCHEMBL11043932 | 0.77 | CA1 (0.44) | CA1CA2ABCB11ACHEALDH1A1 | |
| SCHEMBL27283047 | 0.76 | LMNA (0.42) | ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL15037436 | 0.75 | ALDH1A1 (0.51) | ALDH1A1GAAMAPTMEN1RAB9A | |
| SCHEMBL11040630 | 0.75 | CA1 (0.45) | CA1CA2ABCB11ACHEALDH1A1 | |
| SCHEMBL11041716 | 0.75 | AOC3 (0.49) | CA1CA2ABCB11ACHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |