Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.39 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14725511 | 0.88 | SRC (0.40) | AAK1TSHRMAP1LC3BMAP1LC3AMEN1 | |
| SCHEMBL14725528 | 0.88 | REN (0.40) | REN | |
| SCHEMBL14722027 | 0.87 | TSHR (0.43) | AAK1TSHRMAP1LC3BMAP1LC3AMEN1 | |
| SCHEMBL14725529 | 0.86 | MMP1 (0.35) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL14725450 | 0.84 | AAK1 (0.43) | AAK1TSHR | |
| SCHEMBL14721685 | 0.84 | AAK1 (0.43) | AAK1TSHR | |
| SCHEMBL14725433 | 0.81 | TSHR (0.38) | AAK1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14725494 | 0.79 | PSEN1 (0.42) | REN | |
| SCHEMBL14721210 | 0.78 | KDM4E (0.37) | TSHRMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL14725251 | 0.76 | S1PR1 (0.35) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT |
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 |