Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2161442 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HPGDKDM4EMEN1 | |
| Formic Acid SCHEMBL27532730 | 0.79 | NCEH1 (0.43) | ALDH1A1HSD17B10HPGDKDM4EMEN1 | |
| SCHEMBL1556062 | 0.79 | NCEH1 (0.45) | ALDH1A1HSD17B10HPGDKDM4EMEN1 | |
| SCHEMBL31148944 | 0.78 | POLB (0.46) | ALDH1A1HSD17B10HPGDPOLBMAPT | |
| SCHEMBL11746597 | 0.78 | CYP2A6 (0.48) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL2012510 | 0.78 | PTPN22 (0.48) | — | |
| SCHEMBL2016155 | 0.78 | POLB (0.46) | ALDH1A1HSD17B10HPGDPOLBMAPT | |
| SCHEMBL720557 | 0.76 | CYP1A2 (0.52) | ALDH1A1HPGDMEN1MAPTKMT2A | |
| SCHEMBL2891376 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDKDM4EMEN1 | |
| SCHEMBL23663727 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HPGDKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1888538-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR | F. Hoffmann-Roche AG (CH) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006117305-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-09 | — | — | WO | disclosed |