Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | IGF1R | P08069 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7098220 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL1897762 | 0.78 | GRM4 (0.38) | ALDH1A1RIOK2LMNAMAPTPIK3CA | |
| SCHEMBL27947542 | 0.74 | PKM (0.45) | KDM4ERIOK2MAPTHPGDMEN1 | |
| SCHEMBL20772265 | 0.72 | MAPT (0.34) | SMN1; SMN2NPC1RAB9ALMNAMAPT | |
| SCHEMBL3614808 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2EGFRIGF1R | |
| SCHEMBL2413590 | 0.71 | NPC1 (0.50) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL31011779 | 0.71 | NPC1 (0.50) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL30413609 | 0.71 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2EGFRIGF1R | |
| SCHEMBL16913953 | 0.71 | MAPT (0.37) | ALDH1A1KDM4ESMN1; SMN2EGFRNPC1 | |
| SCHEMBL8501065 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103435561-B | A kind of Novel D-amino acid oxidase inhibitor and preparation thereof and application | 上海交通大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-103435561-A | Novel D-amino acid oxidase inhibitor and preparation and application thereof | UNIV SHANGHAI JIAOTONG | 2013-12-11 | — | — | CN | disclosed |
| US-4022897-A | 4H-PYRIDO(1,2-A) PYRIMIDIN-4-ONE DERIVATIVES | E. R. SQUIBB & SONS, INC. (US) | 1977-05-10 | — | — | US | disclosed |