Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
| ▸ | PYGM | P11217 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9460845 | 0.88 | ALDH1A1 (0.44) | ALDH1A1POLBTDP1NPC1CYP2C9 | |
| SCHEMBL8656957 | 0.84 | ALDH1A1 (0.49) | ALDH1A1POLBTDP1HPSETHRA | |
| SCHEMBL1656302 | 0.82 | ALDH1A1 (0.53) | ALDH1A1POLBTDP1HPSETHRA | |
| SCHEMBL9128419 | 0.81 | ALDH1A1 (0.45) | ALDH1A1POLBTDP1HPSETHRA | |
| SCHEMBL8473495 | 0.81 | ALDH1A1 (0.45) | ALDH1A1POLBTDP1NPC1RAB9A | |
| SCHEMBL1656305 | 0.80 | ALDH1A1 (0.50) | ALDH1A1POLBTDP1HPSEKDM4E | |
| SCHEMBL522566 | 0.79 | POLB (0.54) | ALDH1A1POLBTDP1HPSEKDM4E | |
| SCHEMBL9847756 | 0.75 | ALDH1A1 (0.49) | ALDH1A1POLBTDP1HPSETHRA | |
| SCHEMBL10625633 | 0.75 | ESR1 (0.43) | ESR1ESR2RAB9AARVDR | |
| Butane SCHEMBL15104922 | 0.75 | POLB (0.60) | ALDH1A1POLBTDP1HPSEKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5212291-A | Anthracycline derivatives as solubilized pro-drugs | AMERICAN CYANAMID COMPANY (US) | 1993-05-18 | — | — | US | disclosed |
| US-5189137-A | Method for preparing a high molecular weight polyethermide polymer in a dual solvent system | GENERAL ELECTRIC COMPANY (US) | 1993-02-23 | — | — | US | disclosed |
| US-5116827-A | Antitumor agents | AMERICAN CYANAMID COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| US-5077283-A | Enhanced water and lipid solubility; antitumor, anticarcinogen ic agents | AMERICAN CYANAMID COMPANY (US) | 1991-12-31 | — | — | US | disclosed |
| US-5077282-A | Improved water or lipid solubility and reduced toxicity | AMERICAN CYANAMID COMPANY (US) | 1991-12-31 | — | — | US | disclosed |