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 | 3/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11287928 | 0.88 | PMP22 (0.51) | HIF1ALMNACYP3A4ALDH1A1ADRB2 | |
| SCHEMBL11286263 | 0.87 | PMP22 (0.55) | HIF1ALMNACYP3A4ALDH1A1ADRB2 | |
| SCHEMBL11277425 | 0.86 | PMP22 (0.54) | HIF1ALMNACYP3A4ALDH1A1ADRB2 | |
| SCHEMBL11280908 | 0.86 | LMNA (0.65) | HIF1ALMNACYP3A4ALDH1A1ADRB2 | |
| SCHEMBL11283482 | 0.85 | PMP22 (0.53) | HIF1ALMNAADRB2PMP22CASP7 | |
| SCHEMBL11275258 | 0.85 | LMNA (0.78) | HIF1ALMNACYP3A4ALDH1A1ADRB2 | |
| SCHEMBL11279956 | 0.84 | HIF1A (0.54) | HIF1ALMNACYP3A4ALDH1A1ADRB2 | |
| SCHEMBL11282290 | 0.84 | PMP22 (0.52) | HIF1ALMNAADRB2PMP22CASP7 | |
| SCHEMBL11280914 | 0.84 | HIF1A (0.45) | HIF1ALMNACYP3A4ALDH1A1ADRB2 | |
| SCHEMBL23318968 | 0.84 | HIF1A (0.81) | HIF1ALMNACYP3A4ALDH1A1ADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | claimed |
| US-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-RE30241-E | BRONCHODILATION, ADRENERGIC STIMULANTS | STERLING DRUG INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |