Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 7/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8528043 | 0.82 | ADRA1A (0.46) | DRD1ALDH1A1TSHRADRA2CADRA1A | |
| SCHEMBL8527998 | 0.77 | ADRA1A (0.47) | DRD4CYP3A4ALDH1A1TSHRADRA1A | |
| SCHEMBL8528876 | 0.76 | ADRA1A (0.46) | ALDH1A1TSHRADRA1A | |
| SCHEMBL27354246 | 0.76 | ADRA1A (0.46) | DRD1ALDH1A1TSHRADRA1A | |
| SCHEMBL8527972 | 0.71 | ADRA1A (0.41) | ADRA1A | |
| Ethane SCHEMBL17459059 | 0.70 | TDP1 (0.92) | TDP1DRD4CYP3A4MEN1KMT2A | |
| SCHEMBL1583161 | 0.69 | TDP1 (1.00) | TDP1DRD4CYP3A4MEN1KMT2A | |
| SCHEMBL1582872 | 0.69 | TDP1 (1.00) | TDP1DRD4CYP3A4MEN1KMT2A | |
| SCHEMBL17028904 | 0.69 | TDP1 (1.00) | TDP1DRD4CYP3A4MEN1KMT2A | |
| SCHEMBL31220 | 0.69 | TDP1 (1.00) | TDP1DRD4CYP3A4MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5606037-A | Processes antineoplastic heteronaphthoquinones | BIOCHEM PHARMA INC. (CA) | 1997-02-25 | — | — | US | claimed |
| US-5736523-A | ADMINISTERING TO THE MAMMAL SUFFERING FROM CANCER | BIOCHEM PHARMA INC. (CA) | 1998-04-07 | — | — | US | disclosed |
| US-5606037-A | Processes antineoplastic heteronaphthoquinones | BIOCHEM PHARMA INC. (CA) | 1997-02-25 | — | — | US | disclosed |