Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 5/20 | 0.34 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.30 |
| ▸ | GBA1 | P04062 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL753089 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPK1ANPEPERAP2 | |
| SCHEMBL9425876 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPK1ANPEPERAP2 | |
| SCHEMBL9079391 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPK1ANPEPERAP2 | |
| SCHEMBL9079828 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPK1ANPEPERAP2 | |
| Hydrochloric Acid SCHEMBL9426243 | 0.97 | ALDH1A1 (0.37) | ALDH1A1TSHRMAPK1ANPEP | |
| Hydrochloric Acid SCHEMBL9425992 | 0.97 | ALDH1A1 (0.37) | ALDH1A1TSHRMAPK1ANPEP | |
| SCHEMBL12248116 | 0.97 | ALDH1A1 (0.37) | ALDH1A1TSHRMAPK1ANPEPLMNA | |
| SCHEMBL3393464 | 0.88 | CA12 (0.38) | ALDH1A1TSHRMAPK1ANPEPERAP2 | |
| SCHEMBL12249051 | 0.87 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL3064356 | 0.87 | CA12 (0.55) | ALDH1A1TSHRANPEPLMNATDP1 |
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-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |