Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 2/20 | 0.51 |
| ▸ | MMP1 | P03956 | 2/20 | 0.51 |
| ▸ | MMP2 | P08253 | 2/20 | 0.51 |
| ▸ | MMP3 | P08254 | 2/20 | 0.51 |
| ▸ | MMP7 | P09237 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | HPN | P05981 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28419236 | 0.89 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL28416149 | 0.88 | ALDH1A1 (0.53) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL19707573 | 0.81 | SLC6A3 (0.44) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX1 | |
| SCHEMBL13945071 | 0.77 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL1241688 | 0.77 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL28421313 | 0.77 | NPR3 (0.55) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX1 | |
| SCHEMBL3578090 | 0.77 | ALDH1A1 (0.51) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL3577947 | 0.77 | ALDH1A1 (0.51) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL14506070 | 0.76 | MAPK1 (0.46) | SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL28507028 | 0.76 | TSHR (0.51) | SMN1; SMN2NPC1RAB9AEPHX1MMP13 |
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-112279743-B | Synthesis method of chiral alpha-amino acid ester derivative | 中国科学院大连化学物理研究所 | 2022-10-18 | — | — | CN | disclosed |
| CN-112279743-A | Synthesis method of chiral alpha-amino acid ester derivative | 中国科学院大连化学物理研究所 | 2021-01-29 | — | — | CN | disclosed |