Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7592887 | 0.86 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDCA12CA1 | |
| SCHEMBL8678959 | 0.83 | PDCD1 (0.33) | — | |
| SCHEMBL4469094 | 0.83 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDCA12CA1 | |
| SCHEMBL7208808 | 0.82 | ALDH1A1 (0.33) | ALDH1A1KDM4EHPGDCA12CA1 | |
| SCHEMBL5083656 | 0.80 | ALOX15 (0.35) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL17952999 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDCA12CA1 | |
| SCHEMBL5860453 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDCA12CA1 | |
| SCHEMBL30229819 | 0.77 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDCA12CA1 | |
| SCHEMBL7252936 | 0.76 | ALDH1A1 (0.36) | ALDH1A1KDM4EHPGDCA12CA1 | |
| SCHEMBL7996888 | 0.76 | ALDH1A1 (0.36) | ALDH1A1KDM4EHPGDCA12CA1 |
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-5807936-A | Transition metal compound | TARGOR GMBH (DE) | 1998-09-15 | — | — | US | disclosed |