Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HK2 | P52789 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152947 | 0.86 | ALOX5 (0.49) | ALOX5TTRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL20152945 | 0.83 | ESR2 (0.51) | ALOX5ESR2FFAR1FFAR4PTGER1 | |
| SCHEMBL20153024 | 0.81 | ESR2 (0.40) | ALOX5TTRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL3208961 | 0.81 | ALOX5 (0.55) | ALOX5TTRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL20152931 | 0.80 | TTR (0.44) | ALOX5TTRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL20152905 | 0.79 | TTR (0.43) | ALOX5TTRALDH1A1 | |
| SCHEMBL20153022 | 0.76 | HSD17B1 (0.43) | HSD17B10ESR2FFAR1FFAR4 | |
| SCHEMBL2860952 | 0.75 | ALOX5 (0.63) | ALOX5ESR2 | |
| SCHEMBL5034496 | 0.75 | BACE1 (0.48) | TTRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL31555136 | 0.73 | ABCB1 (0.58) | — |
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-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |