Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL69787 | 0.80 | CYP3A4 (0.50) | TDP1CYP3A4CA2ESR1ESR2 | |
| SCHEMBL28272590 | 0.80 | TDP1 (0.52) | TDP1CYP3A4ESR1ESR2TPMT | |
| SCHEMBL8909068 | 0.80 | CA2 (0.43) | TDP1CA2CA4ESR1ESR2 | |
| SCHEMBL27446632 | 0.79 | CYP3A4 (0.45) | TDP1CYP3A4CA2CA4ESR1 | |
| SCHEMBL28771044 | 0.78 | TDP1 (0.44) | TDP1CYP3A4ESR1ESR2MAPT | |
| SCHEMBL12552998 | 0.77 | ACHE (0.43) | CYP3A4CA2CA4MAPTPTPN1 | |
| SCHEMBL7173958 | 0.75 | ALDH1A1 (0.40) | TDP1CYP3A4CA2MAPTPTPN1 | |
| SCHEMBL31088765 | 0.75 | ALDH1A1 (0.40) | TDP1CYP3A4CA2MAPTPTPN1 | |
| SCHEMBL18838160 | 0.73 | HSD17B10 (0.39) | TDP1CYP3A4CA2CA4ESR1 | |
| SCHEMBL86951 | 0.73 | CA1 (0.42) | TDP1CYP3A4CA2CA4ESR1 |
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-4270003-A | Hydroquinone derivatives and preparation thereof | KURARAY CO., LTD. (JP) | 1981-05-26 | — | — | US | disclosed |