Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPID | Q08752 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30279705 | 0.79 | CYP3A4 (0.41) | CYP19A1TDP1ALDH1A1GFERCYP3A4 | |
| SCHEMBL24434485 | 0.78 | ALDH1A1 (0.39) | CYP19A1ALDH1A1CYP3A4TSHRLOXL2 | |
| SCHEMBL28409253 | 0.72 | ALDH1A1 (0.48) | TDP1ALDH1A1GFERCYP3A4TSHR | |
| SCHEMBL23719251 | 0.68 | IDO1 (0.41) | TDP1ALDH1A1L3MBTL1MEN1GAA | |
| SCHEMBL1823450 | 0.67 | MAOB (0.64) | CYP19A1TDP1ALDH1A1GFERCYP3A4 | |
| SCHEMBL2406779 | 0.66 | TSHR (0.50) | TDP1ALDH1A1GFERCYP3A4TSHR | |
| SCHEMBL3790148 | 0.66 | ALDH1A1 (0.33) | CYP19A1TDP1ALDH1A1GFERCYP3A4 | |
| SCHEMBL4341772 | 0.64 | ALDH1A1 (0.48) | TDP1ALDH1A1GFERCYP3A4TSHR | |
| SCHEMBL1820867 | 0.64 | MAOB (0.54) | TDP1ALDH1A1GFERCYP3A4TSHR | |
| SCHEMBL23123018 | 0.64 | — | — |
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-7438833-B2 | Organic species that facilitate charge transfer to or from nanostructures | NANOSYS, INC. (US) | 2008-10-21 | — | — | US | disclosed |