Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6740766 | 1.00 | ALDH1A1 (0.45) | ALDH1A1CTSLNPC1SMN1; SMN2RAB9A | |
| SCHEMBL1141828 | 0.78 | BLM (0.43) | ALDH1A1MEN1KMT2AHPGDGAA | |
| SCHEMBL16089348 | 0.78 | BLM (0.43) | ALDH1A1MEN1KMT2AHPGDGAA | |
| SCHEMBL6711416 | 0.78 | GSTA1 (0.51) | ALDH1A1NPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL9853483 | 0.78 | MAPT (0.53) | ALDH1A1NPC1SMN1; SMN2RAB9AKMT2A | |
| SCHEMBL6711422 | 0.78 | GSTA1 (0.51) | ALDH1A1NPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL31019440 | 0.75 | SLC6A3 (0.45) | ALDH1A1CTSLNPC1SMN1; SMN2RAB9A | |
| SCHEMBL31019441 | 0.75 | SLC6A3 (0.45) | ALDH1A1CTSLNPC1SMN1; SMN2RAB9A | |
| Iodide SCHEMBL27950655 | 0.75 | BLM (0.42) | ALDH1A1MEN1KMT2AHPGDGAA | |
| SCHEMBL28041991 | 0.72 | MAPT (0.48) | ALDH1A1CTSLNPC1SMN1; SMN2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6686496-B1 | 4-OXO-2 BUTENOIC ACID AND 3-HYDRAZINO-2,4-DIOXOBUTANOIC ACID DERIVATIVES | UNIVERSITY OF CENTRAL FLORIDA | 2004-02-03 | — | — | US | disclosed |