Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB8 | P28062 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14620264 | 0.87 | PTGS2 (0.43) | PTGS2GAAL3MBTL1ALDH1A1PKM | |
| SCHEMBL9338651 | 0.77 | PTGS2 (0.45) | PTGS2PGRGAAALDH1A1HTT | |
| SCHEMBL14620042 | 0.76 | COMT (0.39) | PSMB8KMOPTGS2COMTPGR | |
| SCHEMBL17430604 | 0.72 | ALDH1A1 (0.34) | HDAC4HDAC2HDAC8PTGS2PGR | |
| SCHEMBL30540066 | 0.71 | PTGS2 (0.48) | PTGS2GAAALDH1A1HTTLMNA | |
| SCHEMBL14275465 | 0.69 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL14620419 | 0.68 | NR1H2 (0.35) | PTGS2COMTPGRALDH1A1BRD4 | |
| SCHEMBL14620263 | 0.68 | MAOA (0.44) | GAAL3MBTL1ALDH1A1HTTMAOA | |
| SCHEMBL10684202 | 0.67 | PTGS2 (0.55) | PTGS2GAAALDH1A1HSP90AA1HTT | |
| SCHEMBL2731883 | 0.67 | ALDH1A1 (0.69) | KMOHDAC4HDAC2HDAC8ALDH1A1 |
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-2007003520-A1 | FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2007-01-11 | — | — | WO | disclosed |