Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18504313 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TDP1TSHRTP53 | |
| SCHEMBL29520503 | 0.81 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10L3MBTL1 | |
| SCHEMBL5671941 | 0.81 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10L3MBTL1 | |
| SCHEMBL396194 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL3789866 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TDP1TSHRTP53 | |
| SCHEMBL16621433 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL18614705 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL3802241 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL3687482 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1TSHRTP53 | |
| SCHEMBL397078 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRTP53HSD17B10L3MBTL1 |
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-0105146-B1 | PROCESS FOR PREPARATION OF DIAMINES OR MIXTURES OF DIAMINES | BAYER AG (DE) | 1985-12-18 | — | — | EP | disclosed |