Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.66 |
| ▸ | MAPT | P10636 | 4/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 6/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | XBP1 | P17861 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | IDE | P14735 | 1/20 | 0.65 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.65 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | F8 | P00451 | 1/20 | 0.49 |
| ▸ | F5 | P12259 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL17761715 | 0.92 | TP53 (0.65) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17761818 | 0.87 | TP53 (0.67) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17749511 | 0.87 | TP53 (0.67) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17761637 | 0.84 | TP53 (0.53) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17761822 | 0.84 | TP53 (0.64) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17749525 | 0.83 | TP53 (0.60) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17749595 | 0.83 | SMN1; SMN2 (0.70) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17761820 | 0.83 | TP53 (0.62) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17749535 | 0.82 | TP53 (0.71) | TP53MAPTNPSR1TSHRMAPK1 | |
| SCHEMBL17749548 | 0.82 | TP53 (0.64) | TP53MAPTNPSR1TSHRMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373629-A1 | COMPOUNDS FOR TREATING CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010067067-A1 | COMPOUNDS FOR TREATING CANCER | EVOTEC AG (DE) | 2010-06-17 | — | — | WO | disclosed |