Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | ALPG | P10696 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11126724 | 0.79 | TSHR (0.80) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| SCHEMBL27341553 | 0.78 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| SCHEMBL27653385 | 0.75 | TSHR (0.59) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| SCHEMBL27588039 | 0.75 | ALDH1A1 (0.59) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| SCHEMBL476527 | 0.73 | ALDH1A1 (0.71) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| SCHEMBL7647018 | 0.73 | TSHR (0.65) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| SCHEMBL2685378 | 0.72 | CA12 (0.40) | ALDH1A1TDP1HSD17B10LMNAELANE | |
| SCHEMBL8896071 | 0.72 | ALDH1A1 (0.69) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| SCHEMBL8684068 | 0.72 | ALDH1A1 (0.46) | ALDH1A1TDP1LMNASMN1; SMN2HTT | |
| Water SCHEMBL28159582 | 0.72 | TDP1 (0.96) | ALDH1A1TDP1TSHRHSD17B10LMNA |
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-108069876-A | For the 3- aryl propine nitrile compounds of mercaptan mark | 斯特拉斯堡大学 | 2018-05-25 | — | — | CN | disclosed |