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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | MGAM | O43451 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | CNR2 | P34972 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.51 |
| ▸ | RELA | Q04206 | 3/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27744797 | 0.95 | MGAM (0.56) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| SCHEMBL367913 | 0.89 | MGAM (0.68) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| SCHEMBL29540332 | 0.89 | MGAM (0.68) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| Ammonia Solution, Strong SCHEMBL29239526 | 0.88 | MGAM (0.66) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| SCHEMBL5788456 | 0.88 | MGAM (0.66) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| SCHEMBL31434313 | 0.88 | MGAM (0.66) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| Hydrochloric Acid SCHEMBL3400880 | 0.88 | MGAM (0.66) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| Hydrochloric Acid SCHEMBL3401098 | 0.88 | MGAM (0.66) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| SCHEMBL29135887 | 0.88 | MGAM (0.66) | ALDH1A1MAPTGAAMGAMHDAC8 | |
| SCHEMBL5788458 | 0.88 | MGAM (0.66) | ALDH1A1MAPTGAAMGAMHDAC8 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106660964-A | High-purity quinoline derivative and process for producing the same | 卫材R&D管理有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-102015705-B | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2013-11-13 | — | — | CN | disclosed |
| CN-102015705-A | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2011-04-13 | — | — | CN | disclosed |
| EP-2247588-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009107850-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-03 | — | — | WO | disclosed |
| CN-1058969-C | Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof | SUMITOMO PHARMA (JP) | 2000-11-29 | — | — | CN | disclosed |