Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.69 |
| ▸ | GAA | P10253 | 1/20 | 0.69 |
| ▸ | HTR2C | P28335 | 5/20 | 0.57 |
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | HTR2B | P41595 | 3/20 | 0.57 |
| ▸ | IDO1 | P14902 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1047831 | 0.93 | ALDH1A1 (0.66) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL3453087 | 0.83 | ALDH1A1 (0.67) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL1050492 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL3453120 | 0.81 | ALDH1A1 (0.59) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL3451303 | 0.80 | ALDH1A1 (0.62) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL19760706 | 0.79 | IDO1 (0.59) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL29611992 | 0.79 | IDO1 (0.59) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL27825820 | 0.79 | IDO1 (0.58) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL1049215 | 0.79 | MAPT (0.68) | ALDH1A1MAPTGAAHTR2CHTR2A | |
| SCHEMBL3264403 | 0.77 | IDO1 (0.56) | ALDH1A1MAPTGAAHTR2CHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010015587-A1 | 5-BENZYL-1,2,3,6-TETRAHYDRO-4,6-DIAZA-CYCLOPENTA[C]FLUORENE COMPOUNDS AND 5-BENZYL-1,2,3,6-TETRAHYDRO-4,6-DIAZA-CYCLOHEPTA[C]FLUORENE COMPOUNDS | NYCOMED GMBH (DE) | 2010-02-11 | — | — | WO | disclosed |