Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | OGG1 | O15527 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 9/20 | 0.38 |
| ▸ | RAB9A | P51151 | 9/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16599338 | 0.77 | PTGS2 (0.59) | PTGS2HDAC1HDAC8HDAC6MCL1 | |
| SCHEMBL3973581 | 0.74 | CNR2 (0.49) | HDAC1HDAC8HDAC6MAOBNPC1 | |
| SCHEMBL30980091 | 0.71 | PTGS2 (0.56) | PTGS2HDAC1HDAC8HDAC6MCL1 | |
| SCHEMBL28242027 | 0.70 | KMO (0.40) | KMT2AMEN1LMNA | |
| SCHEMBL3655141 | 0.70 | KMT2A (0.50) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL346530 | 0.69 | MCL1 (0.62) | PTGS2HDAC1HDAC8HDAC6MCL1 | |
| SCHEMBL347996 | 0.68 | LIMK1 (0.66) | PTGS2HDAC1HDAC8HDAC6MCL1 | |
| SCHEMBL2503631 | 0.68 | PTGS2 (0.56) | PTGS2HDAC1HDAC8HDAC6MCL1 | |
| SCHEMBL3990192 | 0.66 | GPR84 (0.58) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| SCHEMBL1805430 | 0.64 | LMNA (0.69) | PTGS2HDAC1HDAC8HDAC6MCL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |