Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21402620 | 0.76 | MEN1 (0.42) | MEN1KMT2AHTTSMN1; SMN2L3MBTL1 | |
| SCHEMBL10749241 | 0.70 | HTT (0.36) | MEN1KMT2AHTTL3MBTL1TSHR | |
| SCHEMBL15659842 | 0.69 | IDO1 (0.33) | TSHR | |
| SCHEMBL18483479 | 0.68 | HCRTR2 (0.30) | — | |
| SCHEMBL17219538 | 0.67 | ESR1 (0.31) | — | |
| SCHEMBL24462741 | 0.67 | HCRTR2 (0.39) | — | |
| SCHEMBL20021699 | 0.67 | HCRTR2 (0.39) | — | |
| SCHEMBL19924589 | 0.66 | ROCK2 (0.32) | — | |
| SCHEMBL112863 | 0.66 | ROCK2 (0.32) | — | |
| SCHEMBL8338040 | 0.66 | ROCK2 (0.32) | — |
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-2018118711-A1 | SMALL MOLECULE FERROPTOSIS INDUCERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-06-28 | — | — | WO | disclosed |