Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.63 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GALK1 | P51570 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5667523 | 0.98 | NPSR1 (0.65) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL1321694 | 0.98 | NPSR1 (0.65) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL5612231 | 0.98 | NPSR1 (0.65) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL7638724 | 0.87 | NPSR1 (0.57) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL7638720 | 0.87 | NPSR1 (0.57) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL27838163 | 0.86 | NPSR1 (0.52) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL11146151 | 0.85 | NPSR1 (0.55) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL11146174 | 0.85 | NPSR1 (0.50) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL10430506 | 0.85 | NPSR1 (0.50) | NPSR1GLO1HCAR2ALDH1A1LMNA | |
| SCHEMBL11146148 | 0.85 | NPSR1 (0.50) | NPSR1GLO1HCAR2ALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105175394-B | Compound with active anticancer | 三井有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-105175394-A | Compounds with anti-cancer activity | CANBAS CO LTD | 2015-12-23 | — | — | CN | disclosed |