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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 10/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | GAA | P10253 | 4/20 | 0.59 |
| ▸ | GLA | P06280 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | C1S | P09871 | 2/20 | 0.56 |
| ▸ | CFD | P00746 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7623105 | 0.82 | KMT2A (0.59) | KMT2AALDH1A1KDM4EGAAGLA | |
| SCHEMBL7618860 | 0.76 | C1S (0.61) | KMT2AALDH1A1KDM4EGAAGLA | |
| SCHEMBL7216408 | 0.75 | C1S (0.56) | KMT2AALDH1A1KDM4EGAAGLA | |
| SCHEMBL7216010 | 0.74 | KMT2A (0.67) | KMT2AALDH1A1KDM4EGAAGLA | |
| SCHEMBL7220843 | 0.73 | HPGD (0.46) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL7623795 | 0.73 | KMT2A (0.53) | KMT2AALDH1A1KDM4EGAAGLA | |
| SCHEMBL7220836 | 0.73 | FTO (0.47) | ALDH1A1LMNAC1STDP1MAPT | |
| SCHEMBL7614663 | 0.72 | C1S (1.00) | KMT2AALDH1A1KDM4EGAAGLA | |
| SCHEMBL7213990 | 0.71 | KMT2A (0.70) | KMT2AALDH1A1KDM4EGAAGLA | |
| SCHEMBL7220842 | 0.70 | FLT3 (0.57) | KMT2AALDH1A1KDM4EGAAGLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1235787-A1 | $g(b)2-ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001042193-A1 | β2-ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2001-06-14 | — | — | WO | disclosed |