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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.50 |
| ▸ | BCHE | P06276 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | APP | P05067 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL4322968 | 0.93 | ACHE (0.54) | ACHEBCHEHDAC1SERPINE1MEN1 | |
| SCHEMBL30423344 | 0.93 | ACHE (0.54) | ACHEBCHEHDAC1SERPINE1MEN1 | |
| Hydrochloric Acid SCHEMBL31650819 | 0.92 | ACHE (0.53) | ACHEBCHEHDAC1SERPINE1MEN1 | |
| SCHEMBL11271213 | 0.82 | ACHE (0.58) | ACHEBCHEHDAC1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11277277 | 0.81 | ACHE (0.56) | ACHEBCHEHDAC1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL30303041 | 0.78 | PPARG (0.52) | ACHEBCHESERPINE1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL11276486 | 0.78 | PPARG (0.52) | ACHEBCHESERPINE1ALDH1A1KDM4E | |
| SCHEMBL9689716 | 0.78 | NR3C2 (0.56) | ACHEALDH1A1KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL5050747 | 0.78 | SIGMAR1 (0.48) | ACHEHDAC1MEN1KMT2AALDH1A1 | |
| SCHEMBL17688511 | 0.78 | ACHE (0.52) | ACHEBCHEMEN1KMT2AALDH1A1 |
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 3 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 | 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 |