Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27967185 | 0.82 | NCF1 (0.54) | NCF1CYP1A2GAAKDM4EL3MBTL1 | |
| SCHEMBL28009833 | 0.82 | ALDH1A1 (0.49) | NCF1TP53MAPTCYP1A2GAA | |
| SCHEMBL20887135 | 0.80 | NCF1 (0.56) | NCF1CYP1A2CYP2A6KDM4ETDP1 | |
| SCHEMBL29081094 | 0.77 | CYP1A2 (0.56) | NCF1CYP1A2CYP2A6KDM4ETDP1 | |
| SCHEMBL6313298 | 0.75 | HTR1A (0.63) | MAPTACHECYP1A2CYP2A6HTR5A | |
| SCHEMBL7491687 | 0.75 | NCF1 (0.67) | NCF1MAPTCYP1A2GAAKDM4E | |
| SCHEMBL3080094 | 0.75 | NCF1 (0.67) | NCF1MAPTCYP1A2GAAKDM4E | |
| SCHEMBL1876619 | 0.73 | NCF1 (0.69) | NCF1MAPTCYP1A2GAAKDM4E | |
| SCHEMBL22816992 | 0.72 | MAPT (0.44) | NCF1TP53MAPTACHEAPP | |
| Lithium SCHEMBL31260768 | 0.71 | NCF1 (0.67) | NCF1MAPTCYP1A2GAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-105859620-A | 6-trichloromethyl phenanthridine compounds and preparation method and application thereof | 大连理工大学 | 2016-08-17 | — | — | CN | claimed |
| CN-105859620-A | 6-trichloromethyl phenanthridine compounds and preparation method and application thereof | 大连理工大学 | 2016-08-17 | — | — | CN | disclosed |