Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4337980 | 0.88 | ALDH1A1 (0.55) | ALDH1A1GLAF2HPGDKDM4E | |
| SCHEMBL27801337 | 0.83 | GLA (0.49) | ALDH1A1GLAF2HPGDKDM4E | |
| SCHEMBL27956203 | 0.80 | KDM4E (0.46) | ALDH1A1GLAF2HPGDKDM4E | |
| SCHEMBL1633917 | 0.79 | ALDH1A1 (0.59) | ALDH1A1KDM4ESMN1; SMN2POLBLMNA | |
| Hydrochloric Acid SCHEMBL28003183 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4ESMN1; SMN2POLBLMNA | |
| SCHEMBL27630991 | 0.77 | EGFR (0.64) | ALDH1A1GLAF2HPGDKDM4E | |
| SCHEMBL30595409 | 0.74 | CA12 (0.65) | ALDH1A1GLAF2HPGDKDM4E | |
| SCHEMBL3974361 | 0.74 | CA12 (0.65) | ALDH1A1GLAF2HPGDKDM4E | |
| SCHEMBL31215472 | 0.73 | GLA (0.46) | ALDH1A1GLAF2HPGDKDM4E | |
| SCHEMBL28814899 | 0.73 | ALDH1A1 (0.67) | ALDH1A1GLAF2HPGDKDM4E |
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-101652352-A | Quinazolines for PDK1 inhibition | NOVARTIS VACCINES & DIAGNOSTIC | 2010-02-17 | — | — | CN | disclosed |
| CN-101454294-A | Quinazolines for pdk1 inhibition | NOVARTIS AG (CH) | 2009-06-10 | — | — | CN | disclosed |