Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GUCY1B2 | O75343 | 3/20 | 0.33 |
| ▸ | GUCY1A2 | P33402 | 3/20 | 0.33 |
| ▸ | GUCY1A1 | Q02108 | 3/20 | 0.33 |
| ▸ | GUCY1B1 | Q02153 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8666471 | 0.99 | HRH3 (0.33) | HRH3NPC1GUCY1B2GUCY1A2GUCY1A1 | |
| SCHEMBL8669505 | 0.70 | MAPT (0.34) | KMT2AL3MBTL1LMNAPOLBMAPT | |
| Hydrochloric Acid SCHEMBL8667760 | 0.70 | MAPT (0.34) | KMT2APOLBMAPT | |
| Hydrochloric Acid SCHEMBL8670170 | 0.69 | MAPT (0.34) | KMT2AMAPT | |
| SCHEMBL8671788 | 0.67 | BDKRB2 (0.33) | — | |
| SCHEMBL9748669 | 0.67 | HTR6 (0.40) | HRH3NPC1KDM4EHPGDHSD17B10 | |
| SCHEMBL8669013 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL8670962 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8671785 | 0.63 | BDKRB2 (0.31) | — | |
| SCHEMBL11070005 | 0.59 | NPC1 (0.42) | NPC1KMT2AMEN1KDM4EHPGD |
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-5750699-A | HALOGENATING OF CORRESPONDING COMPOUND | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |