Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL15211966 | 0.78 | MEN1 (0.64) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL17293770 | 0.78 | MEN1 (0.64) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL4413578 | 0.78 | KMT2A (0.64) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL29774137 | 0.78 | MEN1 (0.64) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL4411556 | 0.77 | KMT2A (0.59) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL29678205 | 0.77 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL30711693 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL2959641 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL20971731 | 0.73 | MEN1 (0.57) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL31752670 | 0.73 | MAPK1 (0.54) | ALDH1A1MEN1KMT2APKMMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9533297-B2 | Ligands designed to provide highly active catalyst complexes | CARNEGIE MELLON UNIVERSITY (US) | 2017-01-03 | — | — | US | disclosed |
| US-9533297-B2 | Ligands designed to provide highly active catalyst complexes | CARNEGIE MELLON UNIVERSITY (US) | 2017-01-03 | — | — | US | disclosed |
| US-20150087795-A1 | LIGANDS DESIGNED TO PROVIDE HIGHLY ACTIVE CATALYST COMPLEXES | CARNEGIE MELLON UNIVERSITY | 2015-03-26 | — | — | US | disclosed |
| US-20150087795-A1 | LIGANDS DESIGNED TO PROVIDE HIGHLY ACTIVE CATALYST COMPLEXES | CARNEGIE MELLON UNIVERSITY | 2015-03-26 | — | — | US | disclosed |
| WO-2013126745-A2 | LIGANDS DESIGNED TO PROVIDE HIGHLY ACTIVE CATALYST COMPLEXES | CARNEGIE MELLON UNIVERSITY (US) | 2013-08-29 | — | — | WO | disclosed |
| WO-2013126745-A2 | LIGANDS DESIGNED TO PROVIDE HIGHLY ACTIVE CATALYST COMPLEXES | CARNEGIE MELLON UNIVERSITY (US) | 2013-08-29 | — | — | WO | disclosed |