Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL905194 | 0.98 | — | — | |
| SCHEMBL725364 | 0.98 | — | — | |
| SCHEMBL253527 | 0.98 | — | — | |
| SCHEMBL27489343 | 0.96 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2TSHRMAPTNPC1 | |
| Water SCHEMBL23295864 | 0.96 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2TSHRMAPTNPC1 | |
| Glycine SCHEMBL28459694 | 0.88 | GLRA1 (0.37) | ALDH1A1SMN1; SMN2TSHRMAPT | |
| Sarcosine SCHEMBL27418475 | 0.85 | ALDH1A1 (0.33) | ALDH1A1MAPT | |
| SCHEMBL1489421 | 0.79 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2TSHRMAPTNPC1 | |
| SCHEMBL3205794 | 0.78 | — | — | |
| SCHEMBL11691480 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5801248-A | Stereoselective syntheses | OXFORD ASYMMETRY INTERNATIONAL PLC. (GB) | 1998-09-01 | — | — | US | disclosed |