Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9466029 | 0.90 | CYP19A1 (0.35) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9465563 | 0.89 | CYP2C9 (0.38) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9465874 | 0.89 | CYP19A1 (0.34) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9465726 | 0.87 | CYP19A1 (0.40) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9465839 | 0.86 | CYP19A1 (0.41) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9467050 | 0.85 | CYP19A1 (0.48) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9465705 | 0.84 | NPY5R (0.40) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9466481 | 0.84 | CYP2C9 (0.40) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9466022 | 0.80 | CYP19A1 (0.36) | CYP3A4CYP19A1CYP3A5MAPTKDM4E | |
| SCHEMBL9465566 | 0.79 | CYP19A1 (0.37) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 |
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-5180827-A | Fungicide Intermediates | RHONE-POULENC AGROCHIMIE (FR) | 1993-01-19 | — | — | US | disclosed |