Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28506852 | 0.88 | PKM (0.48) | ALDH1A1PKMMAPTKDM4EPOLB | |
| SCHEMBL6403079 | 0.86 | ALDH1A1 (0.44) | ALDH1A1PKMMAPTKDM4EPOLB | |
| SCHEMBL6403076 | 0.85 | ALDH1A1 (0.43) | ALDH1A1PKMMAPTKDM4EPOLB | |
| SCHEMBL23925361 | 0.83 | ALDH1A1 (0.53) | ALDH1A1PKMMAPTKDM4EPOLB | |
| SCHEMBL15440632 | 0.82 | ALDH1A1 (0.55) | ALDH1A1PKMMAPTKDM4EPOLB | |
| SCHEMBL621983 | 0.82 | PKM (0.69) | ALDH1A1PKMMAPTKDM4EPOLB | |
| SCHEMBL30105934 | 0.82 | PKM (0.69) | ALDH1A1PKMMAPTKDM4EPOLB | |
| SCHEMBL6613660 | 0.81 | KMT2A (0.59) | ALDH1A1PKMMAPTPOLBTDP1 | |
| SCHEMBL3473414 | 0.80 | PKM (0.59) | ALDH1A1PKMMAPTKDM4EPOLB | |
| SCHEMBL7829043 | 0.80 | PKM (0.54) | ALDH1A1PKMMAPTKDM4EPOLB |
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-106083740-B | The 4- anilinoquinazoline derivatives and preparation method of a kind of triazole containing 1,2,3- | 江苏开放大学 | 2018-05-15 | — | — | CN | disclosed |
| CN-106083740-A | A kind of 4 anilinoquinazoline derivatives containing 1,2,3 triazoles and preparation method | 江苏开放大学 | 2016-11-09 | — | — | CN | disclosed |