Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14721210 | 0.87 | KDM4E (0.37) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL14725517 | 0.86 | AAK1 (0.44) | ALDH1A1CTSLMEN1KMT2AMAPT | |
| SCHEMBL14725525 | 0.84 | BTK (0.37) | ALDH1A1GAAPIK3CDABL1EGFR | |
| SCHEMBL14722260 | 0.84 | ALDH1A1 (0.34) | ALDH1A1GAACTSLKDM4EMEN1 | |
| SCHEMBL14721722 | 0.84 | TSHR (0.36) | MMP1MMP2MMP9MMP8MMP13 | |
| SCHEMBL14721726 | 0.84 | TSHR (0.36) | MMP1MMP2MMP9MMP8MMP13 | |
| SCHEMBL14721721 | 0.81 | NPSR1 (0.30) | — | |
| SCHEMBL14725450 | 0.79 | AAK1 (0.43) | — | |
| SCHEMBL14721685 | 0.79 | AAK1 (0.43) | — | |
| SCHEMBL14725511 | 0.78 | SRC (0.40) | ALDH1A1GAACTSLKDM4EMEN1 |
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-2013026942-A1 | TUBULIN BINDING AGENTS | THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) | 2013-02-28 | — | — | WO | disclosed |