Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953197 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL19953070 | 0.83 | CYP1A2 (0.44) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL19952993 | 0.83 | CYP1A2 (0.44) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL19967280 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL19953208 | 0.80 | CA2 (0.43) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL19953115 | 0.80 | MAPT (0.48) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL1163846 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL19953160 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL1163845 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 | |
| SCHEMBL19952999 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2C19RECQLL3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |
| WO-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |