Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11129975 | 0.84 | NAAA (0.54) | ALDH1A1HDAC1HDAC2CES2CES1 | |
| SCHEMBL31662634 | 0.84 | GAA (0.56) | SMN1; SMN2SMPD1NPSR1TSHRCES2 | |
| SCHEMBL15993619 | 0.83 | NAAA (0.56) | ALDH1A1HDAC1HDAC2CES2CES1 | |
| SCHEMBL15923326 | 0.76 | SMN1; SMN2 (0.69) | KDM4EALDH1A1SMN1; SMN2HDAC3 | |
| SCHEMBL9168059 | 0.76 | SMN1; SMN2 (0.69) | KDM4EALDH1A1SMN1; SMN2HDAC3 | |
| SCHEMBL9168933 | 0.76 | SMN1; SMN2 (0.69) | KDM4EALDH1A1SMN1; SMN2HDAC3 | |
| SCHEMBL9574878 | 0.76 | POLB (0.61) | ALDH1A1SMN1; SMN2HDAC1HDAC2CES2 | |
| SCHEMBL6258472 | 0.76 | SMN1; SMN2 (0.79) | KDM4EALDH1A1SMN1; SMN2TSHRHDAC1 | |
| SCHEMBL28466653 | 0.75 | P2RX7 (0.39) | KDM4ESMN1; SMN2NPSR1CES2CES1 | |
| SCHEMBL28446802 | 0.74 | SMPD1 (0.54) | ALDH1A1SMPD1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107636007-A | Beta hairpin peptide mimics | 波利弗尔股份公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107001426-A | Beta-hairpin peptidomimetics | 波利弗尔股份公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-107001425-A | Beta hairpin peptide mimics | 波利弗尔股份公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-102844327-B | Template-fixed peptidomimetics with CXCR7 modulatory activity | 波利弗尔股份公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-105849119-A | Beta-hairpin peptidomimetics | 波利弗尔股份公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-105324390-A | Beta-hairpin peptidomimetics | POLYPHOR AG | 2016-02-10 | — | — | CN | disclosed |