Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8429438 | 1.00 | KDM4E (0.54) | KDM4ESMN1; SMN2NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL8431011 | 0.98 | KDM4E (0.55) | KDM4ESMN1; SMN2NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL8431008 | 0.98 | KDM4E (0.55) | KDM4ESMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL8430917 | 0.87 | KDM4E (0.59) | KDM4ESMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL8128377 | 0.86 | SMN1; SMN2 (0.60) | KDM4ESMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL8128381 | 0.86 | SMN1; SMN2 (0.60) | KDM4ESMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL8430804 | 0.85 | KDM4E (0.53) | KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL8430800 | 0.85 | KDM4E (0.53) | KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL8427010 | 0.85 | KDM4E (0.62) | KDM4ESMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL8427008 | 0.85 | KDM4E (0.62) | KDM4ESMN1; SMN2NPC1RAB9AKMT2A |
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-5861407-A | Tetrahydropyridine derivatives as dopamine receptor subtype ligands | MERCK SHARP & DOHME, LTD. (GB) | 1999-01-19 | — | — | US | disclosed |