Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | PLK1 | P53350 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27282714 | 0.98 | ALDH1A1 (0.59) | ALDH1A1PLK1TDP1LMNAPOLB | |
| Cyclopropane SCHEMBL28784957 | 0.92 | ALDH1A1 (0.53) | ALDH1A1PLK1TDP1LMNAPOLB | |
| SCHEMBL27923498 | 0.84 | PLK1 (0.55) | ALDH1A1PLK1TDP1LMNAPOLB | |
| SCHEMBL27806920 | 0.82 | POLB (0.44) | ALDH1A1PLK1TDP1LMNAPOLB | |
| SCHEMBL9627860 | 0.82 | CA1 (0.44) | ALDH1A1TDP1LMNALOXL2MEN1 | |
| SCHEMBL28050323 | 0.81 | HPGD (0.45) | ALDH1A1LOXL2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL775750 | 0.80 | ALDH1A1 (0.64) | ALDH1A1PLK1TDP1LMNAPOLB | |
| SCHEMBL36204 | 0.80 | ALDH1A1 (0.64) | ALDH1A1PLK1TDP1LMNAPOLB | |
| SCHEMBL27986596 | 0.79 | LOXL2 (0.46) | ALDH1A1PLK1LMNALOXL2SMN1; SMN2 | |
| SCHEMBL131711 | 0.78 | LOXL2 (0.70) | ALDH1A1PLK1TDP1LOXL2SMN1; SMN2 |
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-105859639-A | NOVEL ANTI-INFLAMMATORY AGENTS | 雷斯韦洛吉克斯公司 | 2016-08-17 | — | — | CN | disclosed |