Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 10/20 | 0.57 |
| ▸ | NPC1 | O15118 | 9/20 | 0.57 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | GBA1 | P04062 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29490827 | 0.80 | MT-CO2 (0.59) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL22745917 | 0.80 | MT-CO2 (0.59) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL6097905 | 0.80 | MT-CO2 (0.59) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL5750887 | 0.80 | BACE1 (0.63) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL29858570 | 0.79 | RAB9A (0.63) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL3407189 | 0.79 | RAB9A (0.63) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL17554085 | 0.76 | NPC1 (0.81) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL30560609 | 0.76 | RAB9A (0.81) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL5750828 | 0.76 | RAB9A (0.81) | RAB9ANPC1MT-CO2SMN1; SMN2KDM4E | |
| SCHEMBL13162412 | 0.76 | SMN1; SMN2 (0.82) | RAB9ANPC1SMN1; SMN2PTGS2MEN1 |
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-2020199945-A1 | ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国医学科学院药物研究所 | 2020-10-08 | — | — | WO | disclosed |