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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.42 |
| ▸ | BCL2L1 known ✓ | Q07817 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL937506 | 0.95 | TSHR (0.55) | TSHRMAOAMAOBLMNARIPK1 | |
| SCHEMBL11365140 | 0.90 | CES1 (0.48) | TSHRMAOAMAOBLMNAHPGD | |
| Sulfuric Acid SCHEMBL28316076 | 0.85 | TSHR (0.60) | TSHRMAOAMAOBLMNATHRB | |
| Methyl Alcohol SCHEMBL9860225 | 0.82 | TSHR (0.81) | TSHRMAOAMAOBHPGDL3MBTL1 | |
| Sulfamate SCHEMBL16687154 | 0.81 | TSHR (0.55) | TSHRMAOAMAOBLMNATHRB | |
| Hydrogen Peroxide SCHEMBL30110573 | 0.79 | TSHR (0.87) | TSHRMAOAMAOBHPGDL3MBTL1 | |
| Hydrogen Peroxide SCHEMBL298462 | 0.79 | TSHR (0.87) | TSHRMAOAMAOBHPGDL3MBTL1 | |
| SCHEMBL8355 | 0.79 | TSHR (1.00) | TSHRMAOAMAOBHPGDL3MBTL1 | |
| SCHEMBL11606739 | 0.79 | TSHR (1.00) | TSHRMAOAMAOBHPGDL3MBTL1 | |
| SCHEMBL385555 | 0.79 | TSHR (1.00) | TSHRMAOAMAOBHPGDL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102773895-A | Flame retardant floor board | SUZHOU CUIZHI NEW TECH DEV CO | 2012-11-14 | — | — | CN | disclosed |
| US-5140040-A | Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) | ABBOTT LABORATORIES (US) | 1992-08-18 | — | — | US | disclosed |
| US-5128362-A | Antidepressant, antiglaucoma | ABBOTT LABORATORIES (US) | 1992-07-07 | — | — | US | disclosed |
| US-5086074-A | Selective adrenergic receptor antagonists | ABBOTT LABORATORIES (US) | 1992-02-04 | — | — | US | disclosed |