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 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HK1 | P19367 | 1/20 | 0.38 |
| ▸ | GALK1 | P51570 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 5/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7007833 | 0.90 | MAPT (0.38) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL7004514 | 0.88 | MAPT (0.37) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL7004542 | 0.88 | MAPT (0.37) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| Trifluoroacetic Acid SCHEMBL7003348 | 0.81 | MAPT (0.34) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL2233984 | 0.65 | MAPT (0.38) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL30019213 | 0.65 | ABCG2 (0.62) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL261676 | 0.65 | ABCG2 (0.62) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| Sulfuric Acid SCHEMBL10962183 | 0.64 | ALDH1A1 (0.41) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL21316073 | 0.63 | MEN1 (0.63) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| SCHEMBL11019235 | 0.63 | KEAP1 (0.33) | ALDH1A1MEN1MAPTKMT2AKDM4E |
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-1325011-A2 | METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES | ELI LILLY AND COMPANY (US) | 2003-07-09 | — | — | EP | disclosed |
| WO-2002028861-A2 | METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES | ELI LILLY AND COMPANY (US) | 2002-04-11 | — | — | WO | disclosed |