Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | FYN | P06241 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1125157 | 1.00 | TSHR (0.52) | TSHRKIF11ALDH1A1EGFRCA2 | |
| SCHEMBL4991 | 0.78 | TSHR (0.48) | TSHRALDH1A1LMNACYP3A4ENPP2 | |
| SCHEMBL21062809 | 0.78 | CYP3A4 (0.50) | TSHRALDH1A1CA2HPGDALOX15 | |
| SCHEMBL29352520 | 0.78 | TSHR (0.48) | TSHRALDH1A1LMNACYP3A4ENPP2 | |
| SCHEMBL30788420 | 0.78 | CYP3A4 (0.50) | TSHRALDH1A1CA2HPGDALOX15 | |
| SCHEMBL2320313 | 0.76 | ALDH1A1 (0.40) | TSHRALDH1A1CA2CA1ENPP2 | |
| SCHEMBL29957186 | 0.76 | ALDH1A1 (0.40) | TSHRALDH1A1CA2CA1ENPP2 | |
| SCHEMBL69881 | 0.76 | — | — | |
| SCHEMBL132727 | 0.75 | ALDH1A1 (0.55) | ALDH1A1EGFRCA2LMNAFYN | |
| SCHEMBL29438369 | 0.75 | ALDH1A1 (0.55) | ALDH1A1EGFRCA2LMNAFYN |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |