Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL27458563 | 0.82 | ALDH1A1 (0.34) | ALDH1A1LMNAHSD17B10TSHRKMT2A | |
| SCHEMBL9051150 | 0.81 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10TSHRKMT2A | |
| SCHEMBL8613493 | 0.81 | ALDH1A1 (0.33) | ALDH1A1LMNAHSD17B10TSHRKMT2A | |
| SCHEMBL8615301 | 0.79 | ALDH1A1 (0.33) | ALDH1A1LMNAHSD17B10TSHRKMT2A | |
| SCHEMBL8615305 | 0.79 | ALDH1A1 (0.33) | ALDH1A1LMNAHSD17B10TSHRKMT2A | |
| SCHEMBL8616571 | 0.78 | KMT2A (0.50) | ALDH1A1LMNAHSD17B10TSHRKMT2A | |
| SCHEMBL1044178 | 0.78 | ALDH1A1 (0.55) | ALDH1A1LMNAHSD17B10TSHRKMT2A | |
| SCHEMBL8612787 | 0.74 | HSD17B10 (0.46) | ALDH1A1LMNAHSD17B10TSHRKMT2A | |
| SCHEMBL8866037 | 0.72 | TRPA1 (0.48) | ALDH1A1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL8613762 | 0.69 | — | — |
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-1126994-A | Novel (1-heteroazolyl-1-heterocyclyl) alkane derivatives and their use as neuroprotective agents | ASTRA AB (SE) | 1996-07-17 | — | — | CN | disclosed |