Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3109673 | 0.78 | CES2 (0.59) | CES2CA12ALDH1A1CA1CA2 | |
| SCHEMBL1561810 | 0.76 | ALOX15 (0.41) | CES2HSP90AA1CA12ALDH1A1CA1 | |
| SCHEMBL562184 | 0.74 | TYR (0.44) | CES2HSP90AA1CA12ALDH1A1CA1 | |
| SCHEMBL29524489 | 0.74 | TYR (0.44) | CES2HSP90AA1CA12ALDH1A1CA1 | |
| SCHEMBL20756412 | 0.72 | CES1 (0.41) | CES2CA12ALDH1A1CA1CA2 | |
| SCHEMBL11728749 | 0.70 | ALDH1A1 (0.50) | CES2HSP90AA1CA12ALDH1A1CA1 | |
| SCHEMBL28099025 | 0.65 | TYR (0.37) | CES2CA12ALDH1A1CA1CA2 | |
| SCHEMBL11003305 | 0.65 | GRK6 (0.50) | CES2CA12ALDH1A1CA1CA2 | |
| SCHEMBL9141406 | 0.64 | TYR (0.36) | CES2CA12ALDH1A1CA1CA2 | |
| SCHEMBL21938771 | 0.63 | TYR (0.38) | CES2CA12ALDH1A1CA1CA2 |
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-4225619-A | BACTERICIDES, FUNGICIDES | BOEHRINGER INGELHEIM GMBH (DE) | 1980-09-30 | — | — | US | disclosed |