Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7941360 | 1.00 | ALDH1A1 (0.37) | ALDH1A1TDP1CA2EGFRNPC1 | |
| SCHEMBL3508977 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1CA2NPC1MITF | |
| SCHEMBL3419638 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1CA2NPC1MITF | |
| SCHEMBL3419635 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1CA2NPC1MITF | |
| SCHEMBL9512845 | 0.78 | IAPP (0.37) | ALDH1A1EGFR | |
| SCHEMBL7939874 | 0.77 | GPR84 (0.41) | CA2MAPT | |
| SCHEMBL7939877 | 0.77 | GPR84 (0.41) | CA2MAPT | |
| SCHEMBL6722055 | 0.75 | — | — | |
| SCHEMBL1156682 | 0.75 | — | — | |
| SCHEMBL20356933 | 0.75 | — | — |
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-6288288-B1 | ALDOL CONDENSATION OF ALKYL METHYL KETONE, HYDROGENATION OF ALPHA, BETA UNSATURATED KETONES TO ALCOHOLS IN THE PRESENCE OF ALKALI METAL HYDROXIDE | CELANESE GMBH (DE) | 2001-09-11 | — | — | US | disclosed |