Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27913565 | 0.84 | TSHR (0.48) | CYP1A2SMN1; SMN2MEN1GAAKMT2A | |
| SCHEMBL7336485 | 0.81 | SMN1; SMN2 (0.47) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL8397236 | 0.80 | CYP1A2 (0.53) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL8392970 | 0.78 | CYP1A2 (0.50) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL29137043 | 0.78 | SMN1; SMN2 (0.44) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL8392046 | 0.78 | CYP1A2 (0.50) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL6679213 | 0.76 | CYP2D6 (0.48) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL27581947 | 0.72 | SLC6A2 (0.45) | CYP1A2SMN1; SMN2CYP2D6NPSR1MEN1 | |
| SCHEMBL29289278 | 0.72 | ALDH1A1 (0.52) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL112007 | 0.71 | CYP3A4 (0.43) | CYP1A2SMN1; SMN2PKMNPSR1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2410858-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111059-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME CORP. (US) | 2010-09-30 | — | — | WO | disclosed |