Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | GAA | P10253 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | FAAH | O00519 | 2/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | TACR1 | P25103 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30463523 | 1.00 | KDM4E (0.67) | KDM4EALDH1A1GAALMNAFAAH | |
| Hydrochloric Acid SCHEMBL7425360 | 0.95 | KDM4E (0.68) | KDM4EALDH1A1GAALMNAFAAH | |
| SCHEMBL21257992 | 0.82 | KDM4E (0.55) | KDM4EALDH1A1GAALMNAFAAH | |
| SCHEMBL5540361 | 0.82 | KDM4E (0.63) | KDM4EALDH1A1LMNAFAAHSIGMAR1 | |
| SCHEMBL4244138 | 0.82 | ALDH1A1 (0.97) | KDM4EALDH1A1GAALMNAFAAH | |
| SCHEMBL30810302 | 0.81 | KDM4E (0.72) | KDM4EALDH1A1GAALMNAFAAH | |
| SCHEMBL7426490 | 0.81 | ALDH1A1 (0.64) | KDM4EALDH1A1GAAFAAHSIGMAR1 | |
| Hydrochloric Acid SCHEMBL17683903 | 0.81 | KDM4E (0.61) | KDM4EALDH1A1LMNAFAAHSIGMAR1 | |
| SCHEMBL6928385 | 0.81 | KDM4E (0.72) | KDM4EALDH1A1GAALMNAFAAH | |
| SCHEMBL4235961 | 0.80 | ALDH1A1 (1.00) | KDM4EALDH1A1GAALMNAFAAH |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112300145-B | Tri-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 上海宇耀生物科技有限公司 | 2023-07-21 | — | — | CN | claimed |
| CN-112300145-A | Three-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 上海宇耀生物科技有限公司 | 2021-02-02 | — | — | CN | claimed |
| CN-112300145-B | Tri-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 上海宇耀生物科技有限公司 | 2023-07-21 | — | — | CN | disclosed |
| CN-112300145-A | Three-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 上海宇耀生物科技有限公司 | 2021-02-02 | — | — | CN | disclosed |
| WO-1997044334-A2 | NOVEL PIPERAZINE OR HOMOPIPERAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THEIR PREPARATION | EGIS Gyógyszergyár Rt. (HU) | 1997-11-27 | — | — | WO | disclosed |