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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11637497 | 0.93 | MMP13 (0.48) | MMP13CTNNB1WNT3APAX8GFER | |
| SCHEMBL11284010 | 0.90 | TTR (0.44) | MMP13CTNNB1WNT3APAX8GFER | |
| SCHEMBL11281678 | 0.86 | TBXA2R (0.42) | MMP13CTNNB1WNT3APAX8GFER | |
| SCHEMBL11278305 | 0.82 | MAPT (0.46) | CTNNB1WNT3APAX8KMT2AALDH1A1 | |
| SCHEMBL11281881 | 0.81 | CTNNB1 (0.45) | MMP13CTNNB1WNT3APAX8GFER | |
| SCHEMBL11290912 | 0.81 | CTNNB1 (0.45) | MMP13CTNNB1WNT3APAX8MAPK1 | |
| Hydrochloric Acid SCHEMBL11638344 | 0.80 | CTNNB1 (0.44) | MMP13CTNNB1WNT3APAX8MAPK1 | |
| Hydrochloric Acid SCHEMBL10896191 | 0.80 | CTNNB1 (0.44) | MMP13CTNNB1WNT3APAX8GFER | |
| SCHEMBL11284672 | 0.79 | TBXA2R (0.39) | MMP13CTNNB1WNT3APAX8MAPK1 | |
| SCHEMBL11289992 | 0.79 | SMN1; SMN2 (0.60) | MMP13CTNNB1WNT3APAX8MAPK1 |
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 2 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-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |