Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 6/20 | 0.39 |
| ▸ | PDE4A | P27815 | 4/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17292882 | 0.82 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19CYP19A1PDE5A | |
| SCHEMBL28928070 | 0.82 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19CYP19A1PDE5A | |
| SCHEMBL29365709 | 0.82 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19CYP19A1PDE5A | |
| SCHEMBL5550291 | 0.80 | MEN1 (0.41) | TDP1ADRB2KDM4EPKMMEN1 | |
| SCHEMBL28131881 | 0.80 | PDE5A (0.52) | CYP1A2CYP2C9CYP2C19CYP19A1PDE5A | |
| SCHEMBL5546832 | 0.75 | TRPV1 (0.36) | TDP1KDM4EMEN1POLBKMT2A | |
| SCHEMBL8384776 | 0.75 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19CYP19A1PDE5A | |
| SCHEMBL11332383 | 0.75 | KDM4E (0.52) | ADRB2KDM4EPKMHTR7MEN1 | |
| SCHEMBL30497724 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP2C9CYP2C19CYP19A1PDE5A | |
| SCHEMBL3443189 | 0.74 | KDM4E (0.39) | TDP1L3MBTL1ADRB2KDM4EPKM |
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 |
|---|---|---|---|---|---|---|---|
| US-6217856-B1 | SUNSCREEN AGENTS | CIBA SPECIALTY CHEMICALS CORPORATION | 2001-04-17 | — | — | US | disclosed |