Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL423954 | 0.84 | — | — | |
| SCHEMBL15144990 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPK1HPGDNPC1 | |
| SCHEMBL1524710 | 0.71 | — | — | |
| SCHEMBL13589667 | 0.71 | — | — | |
| SCHEMBL18704618 | 0.71 | ALDH1A1 (0.65) | ALDH1A1TSHRMAPK1KDM4EHIF1A | |
| SCHEMBL15144989 | 0.70 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL29306657 | 0.70 | ALDH1A1 (0.59) | ALDH1A1TSHRMAPK1KDM4EHIF1A | |
| SCHEMBL23640298 | 0.70 | ALDH1A1 (0.71) | ALDH1A1TSHRMAPK1KDM4EHIF1A | |
| SCHEMBL7963139 | 0.69 | — | — | |
| SCHEMBL10036633 | 0.69 | ALDH1A1 (0.62) | ALDH1A1TSHRMAPK1HPGDNPC1 |
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-3154997-B9 | AURISTATIN DERIVATIVES AND CONJUGATES THEREOF | NOVARTIS AG (CH) | 2021-04-14 | — | — | EP | disclosed |