Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GGT1 | P19440 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL11756425 | 0.91 | ALDH1A1 (0.74) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL286653 | 0.91 | ALDH1A1 (0.74) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL3966730 | 0.89 | ALDH1A1 (0.70) | ALDH1A1ALOX15CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL9464739 | 0.89 | ALDH1A1 (0.70) | ALDH1A1ALOX15CA12CA1CA2 | |
| Chlorobenzene SCHEMBL27863368 | 0.85 | ALDH1A1 (0.58) | ALDH1A1ALOX15CA12CA1CA2 | |
| SCHEMBL28427057 | 0.84 | ALDH1A1 (0.64) | ALDH1A1ALOX15CA12CA1CA2 | |
| Phthalic Acid SCHEMBL10600451 | 0.84 | ALDH1A1 (0.70) | ALDH1A1ALOX15CA12CA1CA2 | |
| Benzoic Acid SCHEMBL27618278 | 0.83 | ALDH1A1 (0.61) | ALDH1A1ALOX15CA12CA1CA2 | |
| Phthalic Acid SCHEMBL7897915 | 0.81 | ALDH1A1 (0.82) | ALDH1A1ALOX15CA12CA1CA2 | |
| Phthalic Acid SCHEMBL2777 | 0.81 | ALDH1A1 (0.82) | ALDH1A1ALOX15CA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105055375-B | Adriamycin and resveratrol with the effect of anti-multidrug resistance deliver nanoscale medicine delivery system altogether | 中国人民解放军第四军医大学 | 2017-11-14 | — | — | CN | claimed |
| CN-105055375-B | Adriamycin and resveratrol with the effect of anti-multidrug resistance deliver nanoscale medicine delivery system altogether | 中国人民解放军第四军医大学 | 2017-11-14 | — | — | CN | disclosed |