Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | GAA | P10253 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.39 |
| ▸ | APEX1 | P27695 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL13506634 | 0.82 | ALDH1A1 (0.40) | ALDH1A1GAAMAPTHSD17B10RECQL | |
| SCHEMBL11660318 | 0.82 | ALDH1A1 (0.40) | ALDH1A1GAAMAPTHSD17B10RECQL | |
| SCHEMBL9058813 | 0.82 | ALDH1A1 (0.40) | ALDH1A1GAAMAPTHSD17B10RECQL | |
| SCHEMBL1953297 | 0.81 | ALDH1A1 (0.39) | ALDH1A1GAAMAPTHSD17B10RECQL | |
| SCHEMBL11766363 | 0.81 | GAA (0.40) | ALDH1A1GAAMAPTHSD17B10RECQL | |
| SCHEMBL30599955 | 0.81 | EGLN1 (0.43) | ALDH1A1GAAMAPTTDP1KDM4E | |
| SCHEMBL9676098 | 0.79 | NPSR1 (0.39) | ALDH1A1MAPTL3MBTL1POLBKMT2A | |
| SCHEMBL9551119 | 0.77 | MME (0.42) | ALDH1A1GAAMAPTHSD17B10RECQL | |
| SCHEMBL9551099 | 0.77 | CTSB (0.40) | ALDH1A1GAAMAPTHSD17B10RECQL | |
| SCHEMBL31072057 | 0.76 | NPSR1 (0.34) | ALDH1A1MAPTL3MBTL1POLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0061013-B1 | PROCESS FOR THE PREPARATION OF POLYISOCYANATES | BAYER AG (DE) | 1984-06-27 | — | — | EP | disclosed |