Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.57 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.57 |
| ▸ | MDH1 | P40925 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 8/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27672437 | 0.75 | HRH4 (0.65) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL14571138 | 0.73 | ADRA2A (0.59) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL29602259 | 0.72 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL29714124 | 0.72 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL30803764 | 0.72 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL34420 | 0.72 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL40522 | 0.72 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL29585604 | 0.72 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL3221265 | 0.72 | ADRA2A (0.98) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| Delavirdine SCHEMBL28170537 | 0.72 | ADRA2A (0.98) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729948-A1 | The production of 3-alkylamino-2-piperazinylpyridines | THE UPJOHN COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |