Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14289248 | 0.85 | L3MBTL1 (0.41) | ALDH1A1KDM4ETUBB1L3MBTL1HSD17B10 | |
| SCHEMBL22701125 | 0.82 | NQO1 (0.36) | ALDH1A1KDM4ETUBB1L3MBTL1HSD17B10 | |
| SCHEMBL2123778 | 0.80 | TUBB1 (0.40) | ALDH1A1KDM4ETUBB1L3MBTL1HSD17B10 | |
| SCHEMBL10138488 | 0.80 | TUBB1 (0.40) | ALDH1A1KDM4ETUBB1L3MBTL1HSD17B10 | |
| SCHEMBL23361704 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4EL3MBTL1HSD17B10HPGD | |
| SCHEMBL2607229 | 0.78 | KDM4E (0.39) | ALDH1A1KDM4EL3MBTL1HSD17B10ESR1 | |
| SCHEMBL14700010 | 0.78 | MAPT (0.38) | ALDH1A1KDM4EL3MBTL1HSD17B10HPGD | |
| SCHEMBL10909552 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4ETUBB1L3MBTL1HSD17B10 | |
| SCHEMBL16545827 | 0.78 | HTR2A (0.37) | ALDH1A1KDM4EL3MBTL1MAPTMAPK1 | |
| SCHEMBL28092501 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7375236-B2 | Methods for producing cyclic benzamidine derivatives | EISAI CO., LTD. (JP) | 2008-05-20 | — | — | US | disclosed |