Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL408682 | 0.90 | S1PR1 (0.45) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL405411 | 0.82 | LMNA (0.45) | S1PR1S1PR3HDAC4HDAC6GABRA5 | |
| SCHEMBL27971853 | 0.79 | ESR1 (0.46) | S1PR1S1PR3HSD17B10MEN1ALDH1A1 | |
| SCHEMBL27837002 | 0.76 | ESR1 (0.41) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL409574 | 0.75 | PTPN1 (0.46) | GABRA5HSD17B10KDM4ELMNACYP1A2 | |
| SCHEMBL27971825 | 0.74 | GHSR (0.39) | HDAC1HDAC6HSD17B10MEN1KMT2A | |
| SCHEMBL408632 | 0.73 | HDAC4 (0.41) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL404322 | 0.73 | PTPN1 (0.43) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL27971675 | 0.72 | PTPN5 (0.40) | KDM4EALDH1A1 | |
| SCHEMBL27971673 | 0.72 | GPBAR1 (0.45) | HDAC4HDAC1HDAC6TRPV1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104030998-A | 4- perfluoroalkyl-4,5-disubstituted isoxazole derivative and preparation method thereof | UNIV EAST CHINA NORMAL | 2014-09-10 | — | — | CN | claimed |
| CN-104030998-B | 4-Polyfluoroalkyl-4,5-bis-substituted isoxazoles derivative and preparation method thereof | EAST CHINA NORMAL UNIVERSITY (CN) | 2015-11-18 | — | — | CN | disclosed |
| CN-104030998-A | 4- perfluoroalkyl-4,5-disubstituted isoxazole derivative and preparation method thereof | UNIV EAST CHINA NORMAL | 2014-09-10 | — | — | CN | disclosed |