Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | PDE1A | P54750 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11178895 | 0.93 | PDE5A (0.41) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11190666 | 0.92 | PDE5A (0.40) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| SCHEMBL11177813 | 0.92 | CYP3A4 (0.39) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| SCHEMBL11185351 | 0.92 | CYP3A4 (0.41) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11182705 | 0.91 | CYP3A4 (0.38) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| SCHEMBL11190386 | 0.89 | PDE5A (0.42) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| SCHEMBL11190398 | 0.88 | SMPD1 (0.43) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| SCHEMBL11189761 | 0.87 | BRD4 (0.36) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| SCHEMBL11182030 | 0.86 | PDE5A (0.38) | CYP3A4LMNANR1I2CYP1A2CYP2D6 | |
| SCHEMBL11187131 | 0.86 | HTR1A (0.40) | CYP3A4LMNANR1I2CYP1A2CYP2D6 |
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-4367230-A | ANTIANOXIC AGENTS | TANABE SEIYAKU CO., LTD. (JP) | 1983-01-04 | — | — | US | claimed |
| US-4367230-A | ANTIANOXIC AGENTS | TANABE SEIYAKU CO., LTD. (JP) | 1983-01-04 | — | — | US | disclosed |