Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11758703 | 0.86 | KMT2A (0.58) | NPC1KMT2AMEN1RAB9AGAA | |
| SCHEMBL1509271 | 0.86 | KMT2A (0.58) | NPC1KMT2AMEN1RAB9AGAA | |
| SCHEMBL11758088 | 0.86 | KMT2A (0.58) | NPC1KMT2AMEN1RAB9AGAA | |
| Quinoline SCHEMBL11096417 | 0.82 | NPC1 (0.51) | NPC1KMT2AMEN1RAB9AGAA | |
| Cadaverine Tartrate SCHEMBL10993986 | 0.78 | KDM4E (0.51) | SMN1; SMN2CYP3A4TRPV1 | |
| Isoquinoline SCHEMBL27834391 | 0.75 | ALDH1A1 (0.49) | NPC1KMT2AMEN1GAASMN1; SMN2 | |
| Cadaverine Tartrate SCHEMBL28015425 | 0.70 | CYP1A2 (0.56) | KMT2AMEN1ALDH1A1MAPTMAPK1 | |
| SCHEMBL14514336 | 0.69 | NPC1 (0.64) | NPC1KMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL11332310 | 0.69 | KMT2A (0.73) | NPC1KMT2AMEN1RAB9AGAA | |
| Isoquinoline SCHEMBL27862772 | 0.69 | IMPDH2 (0.41) | KMT2AALDH1A1MAPTHTTCYP3A4 |
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-4556712-A | OPTICAL RESOLUTION THROUGH SALT FORMATION AND SOLUBILITY | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1985-12-03 | — | — | US | claimed |