Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8683368 | 1.00 | ALDH1A1 (0.52) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| SCHEMBL164244 | 1.00 | ALDH1A1 (0.52) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| Methane SCHEMBL27871284 | 0.97 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| SCHEMBL27760278 | 0.97 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| SCHEMBL6878084 | 0.97 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| Tert-Butanol SCHEMBL11434050 | 0.97 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| SCHEMBL28834712 | 0.97 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| SCHEMBL28362132 | 0.97 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| Propane SCHEMBL9067218 | 0.92 | CYP2C19 (0.46) | ALDH1A1ALOX15CYP3A4ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL19583283 | 0.92 | ALDH1A1 (0.46) | ALDH1A1ALOX15CYP3A4ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108039241-A | A kind of petrochemical industry monitoring system intelligent robot uses control cable and production method | 江苏长城电缆有限公司 | 2018-05-15 | — | — | CN | disclosed |