Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7718087 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL1170377 | 0.91 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL1170379 | 0.91 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL10398664 | 0.82 | MEN1 (0.48) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL10398663 | 0.82 | MEN1 (0.48) | ALDH1A1MEN1KMT2AMAPTRAB9A | |
| SCHEMBL23280869 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AMAPTHTT | |
| Allylbenzene SCHEMBL2478260 | 0.79 | MAOB (0.60) | ALDH1A1MEN1KMT2AMAPTTSHR | |
| Allylbenzene SCHEMBL10325179 | 0.79 | MAOB (0.60) | ALDH1A1MEN1KMT2AMAPTTSHR | |
| Allylbenzene SCHEMBL21274 | 0.79 | — | — | |
| SCHEMBL692013 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AMAPTHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220235262-A1 | MOLECULAR SWITCHES IN POROUS NETWORKS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2022-07-28 | — | — | US | disclosed |
| EP-3956404-A1 | MOLECULAR SWITCHES IN POROUS NETWORKS | Yeda Research and Development Co. Ltd (IL) | 2022-02-23 | — | — | EP | disclosed |
| WO-2020212979-A1 | MOLECULAR SWITCHES IN POROUS NETWORKS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2020-10-22 | — | — | WO | disclosed |