Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22966526 | 0.79 | SIGMAR1 (0.37) | GNRHRLMNAKDM4EALDH1A1HTT | |
| SCHEMBL22966583 | 0.78 | TSHR (0.38) | GNRHRLMNAKDM4EALDH1A1HTT | |
| SCHEMBL21452368 | 0.70 | SMN1; SMN2 (0.45) | SMN1; SMN2 | |
| SCHEMBL2438278 | 0.68 | SIGMAR1 (0.35) | LMNAKDM4EALDH1A1HTTHPGD | |
| SCHEMBL10887041 | 0.68 | ALDH1A1 (0.47) | LMNAKDM4EALDH1A1HRH3SLC6A3 | |
| SCHEMBL755570 | 0.68 | — | — | |
| SCHEMBL17632140 | 0.67 | SMN1; SMN2 (0.49) | LMNAALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL12073851 | 0.67 | CYP2C19 (0.46) | LMNAKDM4EALDH1A1HRH3CYP2D6 | |
| SCHEMBL1846903 | 0.66 | — | — | |
| SCHEMBL9812734 | 0.66 | — | — |
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-2019192506-A1 | IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2019-10-10 | — | — | WO | disclosed |