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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9536399 | 0.94 | SLC2A1 (0.36) | SLC2A1IKBKBNPC1CYP1A2CYP2C9 | |
| SCHEMBL9779025 | 0.90 | SLC2A1 (0.36) | SLC2A1CA2CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL9535779 | 0.84 | SLC2A1 (0.46) | SLC2A1CA2NPC1CYP1A2CYP2C9 | |
| SCHEMBL9779182 | 0.82 | SLC2A1 (0.53) | SLC2A1CA2NPC1CYP1A2CYP2C9 | |
| SCHEMBL9779113 | 0.81 | SLC2A1 (0.48) | SLC2A1CA2NPC1CYP1A2CYP2C9 | |
| SCHEMBL10348690 | 0.81 | SLC2A1 (0.48) | SLC2A1NPBWR1KMT2AMCHR1LMNA | |
| SCHEMBL9754562 | 0.80 | SLC2A1 (0.34) | SLC2A1CA2IKBKBNPC1CYP1A2 | |
| SCHEMBL10484379 | 0.79 | SLC2A1 (0.49) | SLC2A1CYP1A2NPBWR1KMT2AMCHR1 | |
| Hydrochloric Acid SCHEMBL9754511 | 0.79 | SLC2A1 (0.34) | SLC2A1CA2IKBKBNPC1CYP1A2 | |
| SCHEMBL9537507 | 0.78 | SLC2A1 (0.38) | SLC2A1NPC1CYP1A2CYP2C9CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182608-B1 | POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-03-03 | — | — | EP | disclosed |
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |
| US-4866073-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-09-12 | — | — | US | disclosed |
| EP-0182608-A2 | Polycyclic compounds, their preparation and formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-05-28 | — | — | EP | disclosed |