Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11689190 | 0.80 | HSPB1 (0.79) | HSPB1CA1CA2CES1CA9 | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 | 0.80 | HSPB1 (0.79) | HSPB1CA1CA2CES1CA9 | |
| SCHEMBL9183872 | 0.80 | HSPB1 (0.79) | HSPB1CA1CA2CES1CA9 | |
| SCHEMBL2011179 | 0.80 | HSPB1 (0.79) | HSPB1CA1CA2CES1CA9 | |
| SCHEMBL27909482 | 0.79 | ALDH1A1 (0.72) | CA1CA2CES1CA9ALDH1A1 | |
| SCHEMBL22567 | 0.79 | ALDH1A1 (0.72) | CA1CA2CES1CA9ALDH1A1 | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 | 0.78 | HSPB1 (0.76) | HSPB1CA1CA2CES1CA9 | |
| SCHEMBL4016593 | 0.76 | HSPB1 (0.55) | HSPB1CA1CA2CES1CA9 | |
| SCHEMBL492221 | 0.76 | APP (0.70) | HSPB1ALDH1A1HSD17B10ACHELMNA | |
| SCHEMBL5608830 | 0.76 | HSPB1 (0.55) | HSPB1CA1CA2CES1CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0981542-B1 | 20(S) CAMPTOTHECIN GLYCOCONJUGATES | BAYER HEALTHCARE AG (DE) | 2004-08-04 | — | — | EP | disclosed |
| WO-1998000121-A1 | ANTICANCER AGENTS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 1998-01-08 | — | — | WO | disclosed |