Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27858583 | 0.82 | NPC1 (0.59) | NPC1RAB9AALOX15TDP1CYP3A4 | |
| SCHEMBL8071727 | 0.81 | NPC1 (0.83) | NPC1RAB9AALOX15TDP1CYP3A4 | |
| SCHEMBL9781542 | 0.81 | NPC1 (0.63) | NPC1RAB9AALOX15TDP1CYP3A4 | |
| SCHEMBL18598660 | 0.79 | TDP1 (0.61) | NPC1RAB9AALOX15TDP1CYP3A4 | |
| SCHEMBL14219137 | 0.74 | NPC1 (0.55) | NPC1RAB9AALOX15TDP1CYP3A4 | |
| SCHEMBL5594960 | 0.73 | KDM4E (0.41) | NPC1RAB9AALOX15TDP1ALDH1A1 | |
| SCHEMBL13840027 | 0.72 | NPC1 (0.53) | NPC1RAB9AALOX15TDP1CYP3A4 | |
| SCHEMBL21163854 | 0.72 | NPC1 (0.75) | NPC1RAB9AALOX15TDP1CYP3A4 | |
| SCHEMBL13875590 | 0.72 | NPC1 (0.53) | NPC1RAB9AALOX15TDP1CYP3A4 | |
| SCHEMBL190887 | 0.72 | ALDH1A1 (0.41) | NPC1RAB9AALOX15TDP1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0775696-B1 | AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2000-07-19 | — | — | EP | disclosed |
| US-5789428-A | Amino-acid amide derivatives, processes for preparing the same, agricultural or horticultural fungicides, and method for killing fungi | KUMIAI CHEMICAL INDUSTRY CO. LTD. (JP) | 1998-08-04 | — | — | US | disclosed |
| EP-0775696-A1 | AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD | KumaiI Chemical Industry Co., Ltd. (JP) | 1997-05-28 | — | — | EP | disclosed |