Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9323197 | 0.86 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| SCHEMBL28681409 | 0.85 | FYN (0.64) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| SCHEMBL30610431 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| SCHEMBL7140279 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| SCHEMBL649720 | 0.81 | ALDH1A1 (0.83) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| SCHEMBL23630644 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| Benzidine SCHEMBL28721485 | 0.78 | TDP1 (0.69) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| SCHEMBL11695156 | 0.78 | ALDH1A1 (0.53) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| SCHEMBL21084582 | 0.78 | DYRK1A (0.63) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 | |
| SCHEMBL3793239 | 0.77 | ALDH1A1 (0.57) | ALDH1A1TDP1CYP3A4TSHRHSD17B10 |
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-114144522-A | Methods for labeling and encoding pre-existing compound libraries | X-化学有限公司 | 2022-03-04 | — | — | CN | disclosed |