Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 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 | |
|---|---|---|---|---|
| SCHEMBL2026918 | 0.82 | TSHR (0.54) | ALDH1A1TP53RAB9ATSHRCYP3A4 | |
| SCHEMBL31016399 | 0.82 | TSHR (0.54) | ALDH1A1TP53RAB9ATSHRCYP3A4 | |
| SCHEMBL11828387 | 0.80 | SMN1; SMN2 (0.50) | ALDH1A1TP53TSHRCYP3A4HSD17B10 | |
| SCHEMBL11102228 | 0.80 | CA1 (0.55) | ALDH1A1TP53RAB9ATSHRCYP3A4 | |
| SCHEMBL9586283 | 0.79 | TP53 (0.61) | ALDH1A1TP53RAB9ATSHRCYP3A4 | |
| SCHEMBL6888783 | 0.78 | CYP3A4 (0.48) | ALDH1A1CYP3A4POLBKDM4EGLA | |
| SCHEMBL31231782 | 0.78 | ALDH1A1 (0.50) | ALDH1A1RAB9ARECQLMEN1POLB | |
| SCHEMBL30219241 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TP53RAB9ATSHRCYP3A4 | |
| SCHEMBL8861494 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TP53RAB9ATSHRCYP3A4 | |
| SCHEMBL1086528 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TP53RAB9ATSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117567332-A | Method for simultaneously synthesizing thioether compounds and nitrile compounds | 石河子大学 | 2024-02-20 | — | — | CN | disclosed |
| WO-2023114977-A1 | S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | TIAKI THERAPEUTICS, INC. (US) | 2023-06-22 | — | — | WO | disclosed |