Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Delavirdine. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.97 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.97 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.97 |
| ▸ | MAOA | P21397 | 1/20 | 0.97 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.97 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.97 |
| ▸ | MDH1 | P40925 | 1/20 | 0.97 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.97 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.97 |
| ▸ | SYK | P43405 | 14/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Delavirdine SCHEMBL29602259 | 0.98 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL34420 | 0.98 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL30803764 | 0.98 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL29714124 | 0.98 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL3221265 | 0.98 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL40522 | 0.98 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL29585604 | 0.98 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL28170537 | 0.98 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL30703160 | 0.97 | ADRA2A (0.97) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL6390522 | 0.89 | ADRA2A (0.82) | ADRA2AADORA3CHRM1MAOATBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022124342-A1 | AGENT FOR CANCER THERAPY, AND SCREENING METHOD FOR ACTIVE INGREDIENT THEREOF | 国立大学法人 岡山大学 | 2022-06-16 | — | — | WO | claimed |
| WO-2022124342-A1 | AGENT FOR CANCER THERAPY, AND SCREENING METHOD FOR ACTIVE INGREDIENT THEREOF | 国立大学法人 岡山大学 | 2022-06-16 | — | — | WO | disclosed |