Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 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 | |
|---|---|---|---|---|
| SCHEMBL11333300 | 0.86 | TPMT (0.39) | TPMTCYP3A4CA2CA4TDP1 | |
| SCHEMBL13605928 | 0.85 | CA2 (0.50) | TPMTCYP3A4CA2CA4TDP1 | |
| SCHEMBL12144137 | 0.79 | CYP3A4 (0.45) | TPMTCYP3A4CA2CA4TDP1 | |
| SCHEMBL524143 | 0.78 | CA2 (0.56) | TPMTCA2CA4HSD17B10ALOX15 | |
| SCHEMBL14507727 | 0.77 | CA2 (0.61) | TPMTCA2CA4TDP1HSD17B10 | |
| SCHEMBL69787 | 0.76 | CYP3A4 (0.50) | CYP3A4CA2TDP1HSD17B10ALOX15 | |
| SCHEMBL12587049 | 0.74 | CYP3A4 (0.54) | TPMTCYP3A4TDP1HTTMAPT | |
| SCHEMBL22112316 | 0.72 | ACHE (0.46) | CYP3A4TDP1HSD17B10ALOX15ALOX12 | |
| SCHEMBL12143388 | 0.72 | TPMT (0.37) | TPMTCYP3A4CA2CA4TDP1 | |
| SCHEMBL11095430 | 0.72 | CYP3A4 (0.56) | TPMTCYP3A4TDP1HPGDALDH1A1 |
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 |