Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.73 |
| ▸ | RAB9A | P51151 | 11/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.73 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | MITF | O75030 | 1/20 | 0.73 |
| ▸ | KDM5A | P29375 | 1/20 | 0.73 |
| ▸ | KDM5C | P41229 | 1/20 | 0.73 |
| ▸ | APP | P05067 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 6/20 | 0.62 |
| ▸ | PKM | P14618 | 4/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.62 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.62 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL19763360 | 0.91 | NPC1 (0.68) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL396368 | 0.85 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL2431235 | 0.83 | APP (0.61) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL2426291 | 0.83 | APP (0.61) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL2429037 | 0.83 | APP (0.61) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL14838752 | 0.82 | APP (0.65) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL12509006 | 0.81 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL1986394 | 0.81 | NPC1 (0.67) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL1986395 | 0.81 | NPC1 (0.67) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL24320032 | 0.79 | ALDH1A3 (0.63) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 |
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-5204352-A | 5-Guanylhydrazonylphenyl-2,3-alkyleneimidazol-1-ium and derivatives; Trypanosoma | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1993-04-20 | — | — | US | disclosed |