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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Silver SCHEMBL9803503 | 0.96 | TDP1 (0.39) | TDP1CYP3A4CA12CA2CA9 | |
| SCHEMBL10985042 | 0.83 | SMN1; SMN2 (0.33) | TDP1CYP3A4CA12CA2CA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL9803757 | 0.82 | GPR3 (0.44) | TDP1CYP3A4CA12CA2CA9 | |
| SCHEMBL29442077 | 0.82 | CYP3A4 (0.47) | TDP1CYP3A4ESR1ESR2 | |
| Trifluoromethanesulfonic Acid SCHEMBL9806633 | 0.80 | GPR3 (0.46) | TDP1CYP3A4CA12CA2CA9 | |
| SCHEMBL5179859 | 0.80 | CYP3A4 (0.41) | TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL10994432 | 0.79 | HIF1A (0.31) | — | |
| SCHEMBL10977093 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL10960598 | 0.79 | HIF1A (0.31) | — | |
| Iodide SCHEMBL9803488 | 0.79 | CYP3A4 (0.45) | TDP1CYP3A4ESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5037812-A | Anticarcinogenic agents; animals | SMITHKLINE BECKMAN CORPORATION (US) | 1991-08-06 | — | — | US | disclosed |