Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | PPID | Q08752 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL1557559 | 0.93 | ALDH1A1 (0.61) | ALDH1A1MAPK1L3MBTL1PPIDMGAM | |
| SCHEMBL28175040 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1PPIDMGAM | |
| SCHEMBL21652695 | 0.84 | MGAM (0.62) | ALDH1A1MAPK1L3MBTL1PPIDMGAM | |
| SCHEMBL294341 | 0.84 | ALDH1A1 (0.73) | ALDH1A1MAPK1L3MBTL1NPC1RAB9A | |
| Malonic Acid Diethyl Ester SCHEMBL5026002 | 0.84 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1PPIDMGAM | |
| SCHEMBL27493267 | 0.83 | ALDH1A1 (0.61) | ALDH1A1MAPK1L3MBTL1PPIDNPC1 | |
| SCHEMBL8625075 | 0.83 | ALDH1A1 (0.59) | ALDH1A1MAPK1L3MBTL1GAANPC1 | |
| SCHEMBL8069055 | 0.82 | ALDH1A1 (0.70) | ALDH1A1MAPK1L3MBTL1NPC1RAB9A | |
| SCHEMBL6518216 | 0.82 | PPID (0.59) | ALDH1A1MAPK1L3MBTL1PPIDNPC1 | |
| SCHEMBL16015298 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0368668-B1 | Antibody-drug conjugates | LILLY CO ELI (US) | 1997-01-02 | — | — | EP | disclosed |
| US-5514794-A | DERIVATIZED DRUGS WITH MALONATE LINKER, THE DRUG BEING LINKED THROUGH METHYLENE TO THE 2-POSITION CARBON OF MALONATE; THESE ARE INTERMEDIATES FOR THE CONJUGATES | ELI LILLY AND COMPANY (US) | 1996-05-07 | — | — | US | disclosed |
| US-5010176-A | Malonate linker | ELI LILLY AND COMPANY (US) | 1991-04-23 | — | — | US | disclosed |
| EP-0368668-A2 | Antibody-drug conjugates | ELI LILLY AND COMPANY (US) | 1990-05-16 | — | — | EP | disclosed |