Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6978293 | 0.89 | ALDH1A1 (0.39) | ALDH1A1POLBHPGDNPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL6979873 | 0.85 | MEN1 (0.37) | ALDH1A1HPGDNPC1RAB9AL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL6977922 | 0.80 | CYP1A2 (0.34) | CYP2C19 | |
| SCHEMBL6977392 | 0.80 | ALDH1A1 (0.37) | ALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL6982053 | 0.78 | HTR5A (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL6978462 | 0.77 | MEN1 (0.39) | ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A | |
| SCHEMBL6977874 | 0.77 | ALDH1A1 (0.43) | ALDH1A1POLBHPGDSMN1; SMN2NPC1 | |
| Trifluoroacetic Acid SCHEMBL9082735 | 0.75 | EPHX1 (0.33) | ALDH1A1 | |
| SCHEMBL6969217 | 0.73 | SLC6A2 (0.36) | MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL6979209 | 0.71 | DPP4 (0.43) | ALDH1A1 |
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-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | claimed |