Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Thiosemicarbazide SCHEMBL7524661 | 0.81 | ALDH1A1 (0.67) | ALDH1A1HSD17B10PTGS2TSHRCYP1A2 | |
| Thiosemicarbazide SCHEMBL28628852 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HSD17B10PTGS2TSHRCYP1A2 | |
| Thiosemicarbazide SCHEMBL11687122 | 0.78 | ALDH1A1 (0.62) | ALDH1A1HSD17B10PTGS2TSHRCYP1A2 | |
| Pimagedine SCHEMBL27731082 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HSD17B10PTGS2TSHRCYP1A2 | |
| SCHEMBL3277149 | 0.74 | — | — | |
| Pimagedine SCHEMBL27731079 | 0.72 | BLM (0.63) | ALDH1A1HSD17B10PTGS2TSHRCYP1A2 | |
| Thiosemicarbazide SCHEMBL37070 | 0.71 | — | — | |
| Thiosemicarbazide SCHEMBL28071576 | 0.71 | ALDH1A1 (1.00) | ALDH1A1HSD17B10PTGS2TSHRCYP1A2 | |
| Thiosemicarbazide SCHEMBL28180040 | 0.69 | — | — | |
| Thiosemicarbazide SCHEMBL8770126 | 0.68 | — | — |
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-103772231-B | Compounds, its synthetic method and therepic use | GILEAD SCIENCES INC. (US) | 2016-02-03 | — | — | CN | disclosed |