Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13467941 | 0.79 | CCNE1 (0.56) | VNN1NPC1RAB9ACYP3A4CYP1A2 | |
| SCHEMBL27543447 | 0.74 | ALDH1A1 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL6181698 | 0.73 | ALDH1A1 (0.45) | VNN1NPC1RAB9ACYP3A4CYP1A2 | |
| SCHEMBL8378509 | 0.73 | ROCK2 (0.39) | VNN1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL5025395 | 0.73 | CDK2 (0.48) | VNN1NPC1RAB9ACYP3A4CYP1A2 | |
| SCHEMBL5025993 | 0.72 | SCD (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL13467940 | 0.71 | NPC1 (0.46) | NPC1RAB9ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL15100311 | 0.71 | ALDH1A1 (0.41) | NPC1RAB9ACYP3A4CYP1A2CYP2C9 | |
| SCHEMBL27518243 | 0.70 | KCNN4 (0.35) | VNN1NPC1RAB9ACYP3A4CYP1A2 | |
| Hydrochloric Acid SCHEMBL9386546 | 0.70 | NPC1 (0.53) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 |
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-1267431-C | Substituted quinazoline derivatives and their use as inhibitors | ASTRAZENECA AB (SE) | 2006-08-02 | — | — | CN | disclosed |
| CN-1496364-A | Substituted quinazoline derivatives and their use as inhibitors | — | 2004-05-12 | — | — | CN | disclosed |