Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10605829 | 0.77 | ALDH1A1 (0.46) | TSHRTDP1HSD17B10CHRM2CHRM4 | |
| SCHEMBL27997670 | 0.77 | ALDH1A1 (0.36) | TSHRTDP1HSD17B10CHRM2CHRM4 | |
| SCHEMBL11599336 | 0.74 | TSHR (0.46) | TSHRTDP1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL27997674 | 0.70 | CA1 (0.33) | TSHRTDP1HSD17B10ALDH1A1LMNA | |
| SCHEMBL11328011 | 0.68 | TSHR (0.40) | TSHRTDP1HSD17B10CHRM2CHRM4 | |
| SCHEMBL5495241 | 0.68 | TSHR (0.40) | TSHRTDP1HSD17B10CHRM2CHRM4 | |
| SCHEMBL3843515 | 0.68 | ALDH1A1 (0.44) | TSHRTDP1HSD17B10CHRM2CHRM4 | |
| SCHEMBL27820200 | 0.68 | TSHR (0.40) | TSHRTDP1HSD17B10CHRM2CHRM4 | |
| SCHEMBL13910822 | 0.67 | — | — | |
| SCHEMBL20278704 | 0.67 | — | — |
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-4069257-A | THERMAL DECOMPOSITION OF 2-METHYL-3-HYDROXYMETHYLPENT-1-ENE-4-ONE OR ESTER THEROF | BAYER AKTIENGESELLSCHAFT (DT) | 1978-01-17 | — | — | US | disclosed |