Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.60 |
| ▸ | PDE5A | O76074 | 2/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | XBP1 | P17861 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL19169418 | 0.87 | PDE10A (0.60) | ATMPDE5AABCG2MEN1KMT2A | |
| SCHEMBL422358 | 0.87 | PDE10A (0.61) | PDE5AABCG2MEN1KMT2ANPC1 | |
| SCHEMBL19449104 | 0.86 | CYP1A2 (0.68) | ATMABCG2MEN1KMT2ANPC1 | |
| SCHEMBL400597 | 0.83 | AURKA (0.56) | PDE5AABCG2MEN1KMT2ANPC1 | |
| SCHEMBL15750311 | 0.83 | MEN1 (0.66) | ATMABCG2MEN1KMT2ANPC1 | |
| SCHEMBL16070244 | 0.83 | ABCG2 (0.58) | ATMPDE5AABCG2MEN1KMT2A | |
| SCHEMBL28054497 | 0.83 | CYP1B1 (0.64) | ATMABCG2NPC1XBP1HTT | |
| SCHEMBL4847197 | 0.82 | ATM (0.59) | ATMPDE5AABCG2MEN1KMT2A | |
| SCHEMBL29593068 | 0.82 | ATM (0.59) | ATMPDE5AABCG2MEN1KMT2A | |
| SCHEMBL25082100 | 0.81 | MEN1 (0.50) | ATMMEN1KMT2ANPC1XBP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105418516-A | Quinazoline compounds and preparation method thereof | UNIV XINYANG NORMAL | 2016-03-23 | — | — | CN | disclosed |