Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HNF4A | P41235 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1549765 | 0.90 | KMT2A (0.46) | HNF4AKMT2ATSHRBCAT2XDH | |
| SCHEMBL27605316 | 0.86 | KMT2A (0.44) | HNF4AKMT2AXDHSLC22A12MCL1 | |
| SCHEMBL27624296 | 0.82 | KMO (0.50) | HNF4AKMT2AKEAP1MCL1POLB | |
| SCHEMBL3979501 | 0.80 | HPGDS (0.47) | KMT2A | |
| SCHEMBL2323369 | 0.79 | KMO (0.46) | — | |
| SCHEMBL3983853 | 0.78 | HSD17B10 (0.47) | KMT2AAGTR1AGTR2POLBESR1 | |
| SCHEMBL8138770 | 0.78 | BCL2L1 (0.48) | KMT2AXDHSLC22A12AGTR1AGTR2 | |
| SCHEMBL7796946 | 0.78 | BACE1 (0.43) | HNF4AKMT2ATSHRBCAT2NPSR1 | |
| SCHEMBL137803 | 0.77 | AGTR1 (0.42) | KMT2AXDHSLC22A12AGTR1AGTR2 | |
| SCHEMBL2030709 | 0.77 | AGTR1 (0.44) | TSHRACLYAGTR1AGTR2TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2207778-A2 | PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-07-21 | — | — | EP | claimed |
| WO-2009040730-A2 | PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-04-02 | — | — | WO | claimed |