Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bisantrene. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 8/20 | 0.97 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.97 |
| ▸ | HTR1A | P08908 | 2/20 | 0.97 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.97 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.97 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.97 |
| ▸ | NQO1 | P15559 | 1/20 | 0.97 |
| ▸ | DRD1 | P21728 | 1/20 | 0.97 |
| ▸ | ACHE | P22303 | 1/20 | 0.97 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.97 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.97 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.97 |
| ▸ | DRD3 | P35462 | 1/20 | 0.97 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.97 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.97 |
| ▸ | HTR6 | P50406 | 1/20 | 0.61 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.55 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.55 |
| ▸ | ASIC1 | P78348 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Bisantrene SCHEMBL7472 | 0.98 | ADRA2A (1.00) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| Bisantrene SCHEMBL7207049 | 0.98 | ADRA2A (1.00) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| Bisantrene SCHEMBL8906393 | 0.98 | ADRA2A (1.00) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| Bisantrene SCHEMBL29398210 | 0.98 | ADRA2A (1.00) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| Bisantrene SCHEMBL2852448 | 0.97 | ADRA2A (0.97) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| Bisantrene SCHEMBL4773 | 0.97 | ADRA2A (0.97) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| Bisantrene SCHEMBL29665174 | 0.97 | ADRA2A (0.97) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| Bisantrene SCHEMBL17819003 | 0.97 | ADRA2A (0.97) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| Bisantrene SCHEMBL17819004 | 0.97 | ADRA2A (0.97) | ADRA2AADRA1AHTR1ACHRM2ADORA3 | |
| SCHEMBL24610440 | 0.92 | ADRA2A (0.86) | ADRA2AADRA1AHTR1ACHRM2ADORA3 |
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-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |