Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.59 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | THPO | P40225 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL11784675 | 0.95 | KMT2A (0.69) | KMT2AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL11860028 | 0.91 | KMT2A (0.65) | KMT2AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL28446552 | 0.85 | ADRA2A (0.55) | KMT2AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL10488409 | 0.82 | HIF1A (0.60) | KMT2AADRA1AHIF1AMAPTCYP1A2 | |
| SCHEMBL7160127 | 0.81 | ADORA3 (0.78) | KMT2AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL6954920 | 0.80 | KMT2A (1.00) | KMT2AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL4654952 | 0.80 | MAPT (0.80) | KMT2AADRA2AADRA1AHIF1AMAPT | |
| SCHEMBL4654954 | 0.80 | MAPT (0.80) | KMT2AADRA2AADRA1AHIF1AMAPT | |
| SCHEMBL6455316 | 0.80 | MAPT (0.80) | KMT2AADRA2AADRA1AHIF1AMAPT | |
| SCHEMBL336400 | 0.80 | MAPT (0.80) | KMT2AADRA2AADRA1AHIF1AMAPT |
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-3968117-A | CARDIOVASCULAR | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-06 | — | — | US | disclosed |
| US-3959296-A | CARDIOVASCULAR AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |