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 | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 5/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 5/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10488852 | 0.92 | CD274 (0.42) | SLC2A1CD274CYP1A2TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL10570896 | 0.91 | CD274 (0.41) | SLC2A1CD274CYP1A2TP53CYP3A4 | |
| SCHEMBL10488878 | 0.87 | SLC2A1 (0.46) | SLC2A1CD274CYP1A2KDM4E | |
| SCHEMBL10488657 | 0.87 | SLC2A1 (0.40) | SLC2A1CD274CYP1A2TP53CYP3A4 | |
| SCHEMBL10488369 | 0.87 | SLC2A1 (0.46) | SLC2A1CD274CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL10488276 | 0.86 | SLC2A1 (0.46) | SLC2A1CD274CYP1A2 | |
| Hydrochloric Acid SCHEMBL10488338 | 0.85 | SLC2A1 (0.45) | SLC2A1CD274CYP1A2PDCD1 | |
| SCHEMBL10488304 | 0.85 | SLC2A1 (0.45) | SLC2A1CD274CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL10488213 | 0.81 | CYP1A2 (0.40) | SLC2A1CD274CYP1A2 | |
| SCHEMBL10488332 | 0.81 | SLC2A1 (0.44) | SLC2A1CD274CYP1A2TP53CYP3A4 |
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-4803221-A | Anthracene derivatives | BURROUGHS WELLCOME CO. (US) | 1989-02-07 | — | — | US | disclosed |
| US-4719049-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |