Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 6/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 4/20 | 0.47 |
| ▸ | UNG | P13051 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.42 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL11615481 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALPIPKMPTGS1 | |
| Benzaldehyde SCHEMBL10916116 | 0.96 | ALDH1A1 (0.48) | ALDH1A1CYP2A6ALPIPKMPTGS1 | |
| Benzaldehyde SCHEMBL10916118 | 0.96 | ALDH1A1 (0.48) | ALDH1A1CYP2A6ALPIPKMPTGS1 | |
| Aspartic Acid SCHEMBL23242572 | 0.84 | GRIK1 (0.53) | ALDH1A1CYP2A6ALPIPKMPTGS1 | |
| Benzaldehyde SCHEMBL8698780 | 0.84 | PTGS1 (0.57) | ALDH1A1CYP2A6ALPIPKMPTGS1 | |
| Benzaldehyde SCHEMBL28125082 | 0.84 | PTGS1 (0.57) | ALDH1A1CYP2A6ALPIPKMPTGS1 | |
| Phenylalanine SCHEMBL2225062 | 0.82 | SLC7A5 (0.76) | ALDH1A1CYP2A6ALPIPKMPTGS1 | |
| Serine SCHEMBL3434220 | 0.82 | GRIK1 (0.56) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Diphenylmethane SCHEMBL2364369 | 0.81 | SLC7A5 (0.62) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Styrene SCHEMBL3811631 | 0.81 | ALDH1A1 (0.47) | ALDH1A1ALPIPKMPTGS1XIAP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4127730-A | Method of preparing polymers analogous to enzymes | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1978-11-28 | — | — | US | disclosed |
| US-4111863-A | NON-SWELLABLE, THREE DIMENSIONAL | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |