Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 14/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.69 |
| ▸ | HPGD | P15428 | 10/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.69 |
| ▸ | NPC1 | O15118 | 8/20 | 0.69 |
| ▸ | RAB9A | P51151 | 8/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.69 |
| ▸ | TP53 | P04637 | 5/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.69 |
| ▸ | RELA | Q04206 | 1/20 | 0.69 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12543424 | 0.91 | NPC1 (0.80) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL3336113 | 0.81 | NPC1 (1.00) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL16141032 | 0.80 | NPC1 (0.56) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL105095 | 0.80 | NPC1 (1.00) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| Benzene SCHEMBL28005151 | 0.80 | NPC1 (1.00) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL8343375 | 0.78 | NPC1 (0.58) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| Potassium SCHEMBL4891434 | 0.78 | NPC1 (0.96) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL467859 | 0.78 | NPC1 (0.96) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL2147022 | 0.78 | NPC1 (0.96) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL4775610 | 0.78 | NPC1 (0.96) | KDM4EALDH1A1HPGDSMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021127452-A1 | COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION OF ANTIBIOTICS | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2021-06-24 | — | — | WO | disclosed |