Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30414504 | 0.92 | PARP10 (0.57) | ALDH1A1CYP2A6PARP10PARP3SMN1; SMN2 | |
| SCHEMBL5057415 | 0.86 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPT | |
| SCHEMBL29115834 | 0.85 | TAS1R3 (0.47) | ALDH1A1KDM4EMAPTGRIN2DGRIN3B | |
| SCHEMBL28435221 | 0.81 | ALDH1A1 (0.66) | ALDH1A1CYP2A6PARP10PARP3ADRB2 | |
| Water SCHEMBL27445378 | 0.79 | ALDH1A1 (0.63) | ALDH1A1CYP2A6PARP10PARP3ADRB2 | |
| SCHEMBL16475654 | 0.79 | ALDH1A1 (0.62) | ALDH1A1CYP2A6PARP10PARP3ADRB2 | |
| Butane SCHEMBL7720074 | 0.79 | TDP1 (0.41) | ALDH1A1KDM4EMAPT | |
| SCHEMBL9300725 | 0.79 | TDP1 (0.57) | ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL4910303 | 0.79 | CA1 (0.57) | ALDH1A1KDM4EMAPT | |
| SCHEMBL27468651 | 0.79 | CA1 (0.57) | ALDH1A1ALDH5A1ABATMAPT |
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-106674079-A | Synthesis method of panobinostat | 南京卡文迪许生物工程技术有限公司 | 2017-05-17 | — | — | CN | disclosed |