Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.77 |
| ▸ | RAB9A | P51151 | 11/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.77 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.77 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.77 |
| ▸ | RELA | Q04206 | 3/20 | 0.77 |
| ▸ | GAA | P10253 | 3/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.74 |
| ▸ | TP53 | P04637 | 3/20 | 0.74 |
| ▸ | HPGD | P15428 | 3/20 | 0.74 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.74 |
| ▸ | PKM | P14618 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | RECQL | P46063 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1691886 | 0.98 | NPC1 (0.75) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL2617338 | 0.87 | ALDH1A1 (1.00) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL2103248 | 0.86 | ALDH1A1 (0.79) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL13325903 | 0.86 | ALDH1A1 (0.94) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL4837433 | 0.85 | ALDH1A1 (1.00) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL4728827 | 0.84 | ALDH1A1 (1.00) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL5420774 | 0.84 | NPC1 (0.77) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL5409082 | 0.84 | RAB9A (0.77) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL28851904 | 0.84 | RAB9A (1.00) | NPC1RAB9AALDH1A1NFKB1NFKB2 | |
| SCHEMBL13325759 | 0.82 | NPC1 (0.73) | NPC1RAB9AALDH1A1NFKB1NFKB2 |
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-7867629-B2 | Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same | IDEMITSU KOSAN CO., LTD. (JP) | 2011-01-11 | — | — | US | disclosed |