Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2923268 | 0.86 | MMP2 (0.50) | ALDH1A1HSD17B10TSHRMEN1KMT2A | |
| SCHEMBL28189538 | 0.83 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TSHRKMT2ALMNA | |
| SCHEMBL28309500 | 0.83 | L3MBTL1 (0.45) | ALDH1A1HSD17B10TSHRPARP10MEN1 | |
| SCHEMBL288797 | 0.83 | TSHR (0.45) | ALDH1A1HSD17B10TSHRPARP10MEN1 | |
| SCHEMBL3189724 | 0.83 | TSHR (0.53) | TSHRMEN1KMT2ALMNANR1I2 | |
| SCHEMBL15713724 | 0.83 | KDM4E (0.40) | ALDH1A1HSD17B10TSHRMEN1KMT2A | |
| SCHEMBL3476584 | 0.81 | PARP10 (0.46) | ALDH1A1HSD17B10TSHRPARP10MEN1 | |
| SCHEMBL31314603 | 0.81 | TSHR (0.44) | ALDH1A1TSHRPARP10MEN1KMT2A | |
| SCHEMBL29686816 | 0.81 | TSHR (0.53) | ALDH1A1TSHRPARP10MEN1KMT2A | |
| SCHEMBL28706339 | 0.81 | TSHR (0.53) | ALDH1A1TSHRPARP10MEN1KMT2A |
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-102391222-B | As the hydroxamic acid ester of therapeutical agent | PHARMACYCLICS INC. (US) | 2015-10-21 | — | — | CN | disclosed |
| EP-1196404-A1 | PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Astrazeneca UK Limited (GB) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001002381-A1 | PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA UK LIMITED (GB) | 2001-01-11 | — | — | WO | disclosed |