Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2444795 | 0.91 | ALDH1A1 (0.55) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL2440814 | 0.85 | ALDH1A1 (0.53) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL294907 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL295156 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL8678729 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL3885331 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL17753340 | 0.84 | HPGD (0.49) | ALDH1A1MAPTL3MBTL1CYP1A2HTT | |
| SCHEMBL707809 | 0.83 | MAPT (0.55) | ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4 | |
| Diphenylamine SCHEMBL28107065 | 0.81 | ICMT (0.47) | ALDH1A1MAPTL3MBTL1HTTALOX12 | |
| Diphenylamine SCHEMBL27968209 | 0.81 | ICMT (0.47) | ALDH1A1MAPTL3MBTL1HTTALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |