Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | GSR | P00390 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7004841 | 1.00 | PTGS2 (0.55) | PTGS2HDAC1HDAC8HDAC6GSR | |
| SCHEMBL1124438 | 0.85 | PTGS2 (0.55) | PTGS2HDAC1HDAC8HDAC6GSR | |
| SCHEMBL1124437 | 0.85 | PTGS2 (0.55) | PTGS2HDAC1HDAC8HDAC6GSR | |
| SCHEMBL1569438 | 0.84 | HDAC1 (0.65) | HDAC1HDAC8HDAC6GSRRAB9A | |
| SCHEMBL1569435 | 0.84 | HDAC1 (0.65) | HDAC1HDAC8HDAC6GSRRAB9A | |
| SCHEMBL30390592 | 0.84 | HDAC1 (0.65) | HDAC1HDAC8HDAC6GSRRAB9A | |
| SCHEMBL6907585 | 0.83 | KMT2A (0.47) | PTGS2HDAC1HDAC8HDAC6GSR | |
| SCHEMBL9652685 | 0.83 | PTGS2 (0.54) | PTGS2HDAC1HDAC8HDAC6GSR | |
| SCHEMBL6821923 | 0.81 | HDAC1 (0.45) | PTGS2HDAC1HDAC8HDAC6GSR | |
| SCHEMBL6821922 | 0.81 | HDAC1 (0.45) | PTGS2HDAC1HDAC8HDAC6GSR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101374518-B | Novel Histidine Derivatives | NIPPON ZOKI PHARMACEUTICAL CO.,LTD. (JP) | 2012-02-08 | — | — | CN | disclosed |
| CN-101374518-A | Novel Histidine Derivatives | NIPPON ZOKI PHARMACEUTICAL CO (JP) | 2009-02-25 | — | — | CN | disclosed |
| EP-1309551-A1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002014273-A1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-02-21 | — | — | WO | disclosed |