Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1605130 | 0.85 | CHRNB2 (0.41) | ALDH1A1TSHRCHRNB2CHRNA4KMT2A | |
| SCHEMBL1606063 | 0.80 | HTT (0.43) | ALDH1A1TSHRCHRNB2CHRNA4KMT2A | |
| SCHEMBL2379664 | 0.77 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP2D6KMT2AMAPK1 | |
| SCHEMBL28835366 | 0.70 | CHRNB2 (0.39) | CHRNB2CHRNA4 | |
| SCHEMBL1605236 | 0.70 | EPAS1 (0.40) | — | |
| SCHEMBL17845743 | 0.70 | CA12 (0.38) | CHRNB2CHRNA4MAPTPOLB | |
| SCHEMBL29318739 | 0.69 | CHRNB2 (0.57) | CHRNB2CHRNA4 | |
| SCHEMBL27759984 | 0.69 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP2D6KMT2AMAPK1 | |
| SCHEMBL23501608 | 0.68 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2D6HTTMAPT | |
| SCHEMBL29934142 | 0.68 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2D6HTTMAPT |
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-104193725-B | Organic compound | 诺华股份有限公司 | 2016-11-16 | — | — | CN | disclosed |