Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28381465 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL28311116 | 0.95 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL107628 | 0.95 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL11355839 | 0.95 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL28850209 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL28295157 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL27440016 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL28136999 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL28004051 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1HTR6TSHR | |
| Benzene SCHEMBL28147740 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1HTR6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006095359-A1 | SYNTHESIS OF 2-DEOXY-2, 2-DI FLUORO-D-RIBO FURANOSE-3, 5 DI(4-METHY/4-NITRO-CHLORO)BENZOATE AND ITS CONVERSION TO GEMCITABINE HYDROCHLORIDE THEREOF | SMS PHARMACEUTICALS LIMITED (IN) | 2006-09-14 | — | — | WO | claimed |