Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31482063 | 0.93 | HTT (0.64) | ALDH1A1PTGDR2HTTTP53KMT2A | |
| SCHEMBL8683787 | 0.87 | PTGDR2 (0.52) | ALDH1A1PTGDR2HTTTP53KMT2A | |
| SCHEMBL5014098 | 0.82 | ALDH1A1 (0.62) | ALDH1A1HTTTP53KMT2APTK2B | |
| SCHEMBL1169604 | 0.82 | ALDH1A1 (0.66) | ALDH1A1HTTTP53KMT2APTK2B | |
| SCHEMBL14691336 | 0.80 | ALDH1A1 (0.50) | ALDH1A1PTGDR2HTTTP53KMT2A | |
| SCHEMBL26639282 | 0.79 | ALDH1A1 (0.71) | ALDH1A1HTTTP53KMT2APTK2B | |
| SCHEMBL31482049 | 0.79 | PTGDR2 (0.49) | ALDH1A1PTGDR2HTTTP53KMT2A | |
| SCHEMBL23004928 | 0.78 | ALDH1A1 (0.59) | ALDH1A1PTGDR2HTTKMT2AHPGD | |
| SCHEMBL38459 | 0.78 | ALDH1A1 (0.69) | ALDH1A1HTTTP53KMT2APTK2B | |
| SCHEMBL14397894 | 0.78 | ALDH1A1 (0.59) | ALDH1A1PTGDR2HTTKMT2AHPGD |
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 |