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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL9057035 | 0.92 | CES2 (0.61) | LMNACES2CES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL384248 | 0.82 | LMNA (0.78) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL30185557 | 0.79 | CES2 (0.54) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL18813637 | 0.77 | TAS1R3 (0.56) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL9056162 | 0.76 | CES2 (0.61) | LMNACES2CES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL28391545 | 0.76 | LMNA (0.84) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL18428864 | 0.75 | CES2 (0.59) | LMNACES2CES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL28866446 | 0.75 | LMNA (0.64) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL7088209 | 0.75 | POLB (0.48) | LMNACES2CES1ALDH1A1KDM4E | |
| Benzoin SCHEMBL28090997 | 0.75 | LMNA (0.64) | LMNACES2CES1ALDH1A1KDM4E |
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-4344954-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1982-08-17 | — | — | US | disclosed |