Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 7/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GRM8 | O00222 | 1/20 | 0.38 |
| ▸ | GRM6 | O15303 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28337722 | 0.85 | ALDH1A1 (0.58) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL9222965 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL19956882 | 0.79 | VCAM1 (0.53) | ALDH1A1VCAM1TDP1MAPTMEN1 | |
| SCHEMBL27703189 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TDP1LMNAHTTMAPT | |
| SCHEMBL394329 | 0.73 | ALDH1A1 (0.64) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL11756040 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TDP1LMNAMAPTMEN1 | |
| SCHEMBL11579276 | 0.72 | ALDH1A1 (0.67) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL102780 | 0.72 | ATM (0.69) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL29462663 | 0.72 | ATM (0.69) | ALDH1A1HIF1AVCAM1ATMTDP1 | |
| SCHEMBL19182644 | 0.71 | PDK1 (0.52) | ALDH1A1HIF1ATDP1LMNAHTT |
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-2727038-B1 | CRYSTAL STRUCTURE OF THE PRO FORM OF A MATRIX METALLOPROTEINASE AND AN ALLOSTERIC PROCESSING INHIBITOR | JANSSEN PHARMACEUTICA NV (BE) | 2017-07-26 | — | — | EP | disclosed |
| WO-2017123616-A1 | INHIBITING B-CELL LYMPHOMA 2 (BCL-2) AND RELATED PROTEINS | MERRIMACK PHARMACEUTICALS, INC. (US) | 2017-07-20 | — | — | WO | disclosed |