Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13092423 | 0.85 | SLC6A7 (0.50) | P2RX7ALDH1A1HTTGAAKDM4E | |
| SCHEMBL7900933 | 0.85 | P2RX7 (0.37) | P2RX7ALDH1A1GAAIDO1HSD11B1 | |
| SCHEMBL7908417 | 0.73 | KIT (0.40) | ALDH1A1HTTKMT2ACACNA1HCYP3A4 | |
| SCHEMBL28595853 | 0.70 | ALDH1A1 (0.66) | P2RX7ALDH1A1HTTGAAKDM4E | |
| SCHEMBL7907727 | 0.70 | SLC6A7 (0.50) | HSD11B1KMT2ASLC6A7PRKAA2CYP3A4 | |
| SCHEMBL3107003 | 0.69 | PTPN1 (0.50) | P2RX7HSD11B1KMT2ASLC6A7PRKAA2 | |
| SCHEMBL28593421 | 0.68 | HTT (0.75) | P2RX7ALDH1A1HTTGAAKDM4E | |
| SCHEMBL7914034 | 0.67 | SLC6A7 (0.47) | ALDH1A1HTTGAAIDO1HSD11B1 | |
| SCHEMBL3227686 | 0.66 | CYP3A4 (0.48) | P2RX7ALDH1A1KMT2ASLC6A7CYP3A4 | |
| SCHEMBL7900928 | 0.65 | PTPN1 (0.46) | ALDH1A1HTTHSD11B1KMT2ASLC6A7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |