Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | F13A1 | P00488 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9496210 | 1.00 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4TDP1KDM4E | |
| SCHEMBL965000 | 1.00 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4TDP1KDM4E | |
| SCHEMBL19102876 | 0.95 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP3A4TDP1DNM1 | |
| SCHEMBL197248 | 0.93 | ALDH1A1 (0.67) | ALDH1A1TSHRCYP3A4TDP1KDM4E | |
| SCHEMBL29057251 | 0.91 | ALDH1A1 (0.60) | ALDH1A1TSHRCYP3A4TDP1KDM4E | |
| SCHEMBL9816844 | 0.91 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP3A4TDP1KDM4E | |
| SCHEMBL7785935 | 0.91 | ALDH1A1 (0.75) | ALDH1A1TSHRCYP3A4TDP1KDM4E | |
| SCHEMBL7884018 | 0.89 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4TDP1KDM4E | |
| SCHEMBL28358371 | 0.89 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP3A4TDP1KDM4E | |
| SCHEMBL19103006 | 0.89 | GNAI3 (0.47) | ALDH1A1TSHRCYP3A4DNM1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113811523-A | Process for the preparation of 2, 2-dialkyl-3-acyloxypropionaldehyde | SIKA技术股份公司 | 2021-12-17 | — | — | CN | disclosed |