Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 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 | |
|---|---|---|---|---|
| SCHEMBL11040221 | 0.78 | ALDH1A1 (0.64) | ALDH1A1KMT2AMEN1MAPTHTT | |
| SCHEMBL12127937 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1MAPTHTT | |
| SCHEMBL27757739 | 0.76 | CDC7 (0.55) | ALDH1A1KMT2AMEN1MAPTHTT | |
| SCHEMBL3308450 | 0.76 | SCN9A (0.57) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL11456650 | 0.76 | PTGDR2 (0.49) | ALDH1A1KMT2AMEN1MAPTHTT | |
| SCHEMBL3456228 | 0.73 | ADORA2B (0.62) | ALDH1A1MAPTHTTSMN1; SMN2NPSR1 | |
| SCHEMBL3311788 | 0.73 | ALDH1A1 (0.60) | ALDH1A1MAPTSMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL28017851 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CDC7CCNE1CDK2DBF4 | |
| SCHEMBL25063308 | 0.72 | KMT2A (0.56) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL3168556 | 0.72 | DGAT1 (0.53) | ALDH1A1KMT2AMEN1MAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104592152-A | Amidine structure containing nitrobenzene thiazolecarboxylic acid amide dual-target inhibitor, as well as preparation method and application thereof | FOSHAN SAIWEISI PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-05-06 | — | — | CN | disclosed |