Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.58 |
| ▸ | ADH5 | P11766 | 4/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | PDE4A | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15893979 | 0.83 | CYP3A4 (0.69) | CYP3A4BAZ2BADH5HTTHTR2A | |
| SCHEMBL10550020 | 0.82 | CYP3A4 (0.50) | CYP3A4BAZ2BADH5HTTTBXAS1 | |
| SCHEMBL11000190 | 0.82 | CYP3A4 (0.56) | CYP3A4BAZ2BADH5HTTTBXAS1 | |
| SCHEMBL7320071 | 0.79 | KMT2A (0.55) | TDP1KMT2AMAPTLMNA | |
| Hydrochloric Acid SCHEMBL6949206 | 0.79 | CYP3A4 (0.63) | CYP3A4BAZ2BADH5HTTTBXAS1 | |
| SCHEMBL7290219 | 0.79 | MAOB (0.56) | CYP3A4BAZ2BADH5HTTTBXAS1 | |
| SCHEMBL7290212 | 0.79 | MAOB (0.56) | CYP3A4BAZ2BADH5HTTTBXAS1 | |
| SCHEMBL10648270 | 0.78 | TBXAS1 (0.40) | CYP3A4BAZ2BADH5HTTTBXAS1 | |
| SCHEMBL10353455 | 0.77 | HDAC3 (0.49) | HTR2AMAPTL3MBTL1LMNA | |
| SCHEMBL10646528 | 0.76 | TBXAS1 (0.38) | CYP3A4BAZ2BADH5HTTTBXAS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4717730-A | HYPOTENSIVE AND CARDIOTONIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1988-01-05 | — | — | US | disclosed |
| US-4584299-A | MIXTURE OF HYPOTENSIVE AND CARDIOTONIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1986-04-22 | — | — | US | disclosed |
| US-4551455-A | HYPOTENSIVE AGENTS | A. NATTERMANN & CIE GMBH (DE) | 1985-11-05 | — | — | US | disclosed |