Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.58 |
| ▸ | HPGD | P15428 | 6/20 | 0.58 |
| ▸ | PIK3C2A | O00443 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19079775 | 0.89 | PDE4D (0.59) | ALDH1A1HPGDPIK3C2ATSHRMAPK1 | |
| SCHEMBL19079717 | 0.81 | PDE4D (0.54) | ALDH1A1HPGDPIK3C2ATSHRMAPK1 | |
| SCHEMBL19079774 | 0.77 | ALDH1A1 (0.74) | ALDH1A1HPGDTSHRMAPK1NPSR1 | |
| SCHEMBL14399040 | 0.76 | ALDH1A1 (0.48) | ALDH1A1PIK3C2ATSHRNPSR1SMN1; SMN2 | |
| SCHEMBL19079689 | 0.73 | PDE4D (0.65) | ALDH1A1HPGDTSHRMAPK1NPSR1 | |
| SCHEMBL19079822 | 0.72 | ALDH1A1 (0.58) | ALDH1A1HPGDTSHRMAPK1NPSR1 | |
| SCHEMBL19079793 | 0.69 | ALDH1A1 (0.78) | ALDH1A1HPGDTSHRMAPK1NPSR1 | |
| SCHEMBL21586306 | 0.69 | PIK3C2A (1.00) | PIK3C2AMAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19079856 | 0.69 | PDE4D (0.69) | ALDH1A1HPGDTSHRMAPK1NPSR1 | |
| SCHEMBL19079675 | 0.69 | ALDH1A1 (0.55) | ALDH1A1HPGDTSHRMAPK1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | disclosed |