Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | BTN3A1 | O00481 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19361265 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL15343943 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL15343942 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL18742082 | 0.96 | CA1 (0.51) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL30497665 | 0.91 | ALDH1A1 (0.49) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL15588696 | 0.90 | BTN3A1 (0.48) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL851091 | 0.90 | BTN3A1 (0.48) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL851467 | 0.90 | BTN3A1 (0.48) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL850882 | 0.90 | BTN3A1 (0.48) | ALDH1A1CA1CA2CES2CES1 | |
| SCHEMBL13051654 | 0.90 | BTN3A1 (0.48) | ALDH1A1CA1CA2CES2CES1 |
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-115175735-A | Antiviral compounds | 吉利德科学公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-115087659-A | Antiviral compounds | 吉利德科学公司 | 2022-09-20 | — | — | CN | disclosed |