Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | TTR | P02766 | 4/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.71 |
| ▸ | MAPT | P10636 | 4/20 | 0.71 |
| ▸ | MEN1 | O00255 | 3/20 | 0.71 |
| ▸ | HPGD | P15428 | 3/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.71 |
| ▸ | PKM | P14618 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.71 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.71 |
| ▸ | CASP7 | P55210 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.71 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.71 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.71 |
| ▸ | USP2 | O75604 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.71 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.71 |
| ▸ | HTR1A | P08908 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL23486216 | 0.90 | ELANE (0.72) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| SCHEMBL23198990 | 0.86 | ALDH1A1 (0.71) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| Diacerein SCHEMBL5051685 | 0.83 | TTR (1.00) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| Diacerein SCHEMBL25784 | 0.83 | TTR (1.00) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| Diacerein SCHEMBL29423907 | 0.83 | TTR (1.00) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| Diacerein SCHEMBL29944894 | 0.83 | TTR (1.00) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| SCHEMBL24209663 | 0.83 | TTR (0.80) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| SCHEMBL30610028 | 0.83 | TTR (0.80) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| Emodin Triacetate SCHEMBL4055898 | 0.82 | ELANE (1.00) | ALDH1A1TTRKDM4EMAPTMEN1 | |
| Diacerein SCHEMBL5078956 | 0.82 | TTR (0.97) | ALDH1A1TTRKDM4EMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021110177-A1 | RHEIN DERIVATIVE AND ANTIVIRAL USE THEREOF | 中检科医药科技(北京)集团有限公司 | 2021-06-10 | — | — | WO | disclosed |