Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL23812437 | 0.92 | ALDH1A1 (0.69) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL660947 | 0.89 | TSHR (0.75) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL27530304 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL21027551 | 0.88 | ALDH1A1 (0.73) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL27424975 | 0.87 | TSHR (0.70) | ALDH1A1HSD17B10TSHRCYP3A4MAPK1 | |
| SCHEMBL24832753 | 0.86 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL2005925 | 0.84 | ALDH1A1 (0.63) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL13816768 | 0.84 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TSHRCYP3A4RAB9A | |
| SCHEMBL31033261 | 0.83 | TDP1 (0.73) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| Diethyl Phthalate SCHEMBL3947218 | 0.83 | TDP1 (0.72) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 |
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-102596985-B | 17-hydroxy-17-pentafluoroethyl-estra-4, 9(10) -dien-11-aryl derivatives, method for the production thereof and use thereof for treating diseases | 拜耳知识产权有限责任公司 | 2017-05-24 | — | — | CN | disclosed |