Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | RARB | P10826 | 3/20 | 0.57 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7736346 | 1.00 | CYP2D6 (0.58) | CYP2D6CYP3A4RARBNR5A1LTA4H | |
| SCHEMBL2221791 | 0.98 | RARB (0.59) | CYP2D6CYP3A4RARBNR5A1LTA4H | |
| SCHEMBL8747689 | 0.98 | RARB (0.59) | CYP2D6CYP3A4RARBNR5A1LTA4H | |
| SCHEMBL7723569 | 0.98 | RARB (0.59) | CYP2D6CYP3A4RARBNR5A1LTA4H | |
| SCHEMBL7731763 | 0.98 | RARB (0.59) | CYP2D6CYP3A4RARBNR5A1LTA4H | |
| SCHEMBL2877843 | 0.98 | RARB (0.59) | CYP2D6CYP3A4RARBNR5A1LTA4H | |
| SCHEMBL28371462 | 0.98 | RARB (0.59) | CYP2D6CYP3A4RARBNR5A1LTA4H | |
| SCHEMBL28068983 | 0.98 | RARB (0.59) | CYP2D6CYP3A4RARBNR5A1LTA4H | |
| SCHEMBL3090319 | 0.96 | CYP2D6 (0.61) | CYP2D6CYP3A4RARBLTA4HCYP19A1 | |
| SCHEMBL10618259 | 0.91 | RARB (0.57) | CYP2D6CYP3A4RARBNR5A1LTA4H |
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-6268338-B1 | USEFUL AS AN ANTIBIOTIC, ESPECIALLY AS AN ANTIFUNGAL AGENT OR AS AN ANTIPROTOZOAL AGENT. | MERCK & CO., INC. | 2001-07-31 | — | — | US | disclosed |