Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23149216 | 1.00 | NTRK1 (0.55) | NTRK1HDAC1HDAC2USP30POLB | |
| SCHEMBL23648774 | 0.86 | HDAC2 (0.50) | NTRK1HDAC1HDAC2USP30POLB | |
| SCHEMBL18138932 | 0.84 | HDAC2 (0.50) | NTRK1HDAC1HDAC2USP30POLB | |
| SCHEMBL31158689 | 0.84 | HDAC2 (0.50) | NTRK1HDAC1HDAC2USP30POLB | |
| SCHEMBL28778540 | 0.81 | PTPN1 (0.63) | HDAC1HDAC2PTPN2PTPN1PTPN6 | |
| SCHEMBL18208383 | 0.80 | HPGD (0.48) | NTRK1POLBCHRM4MAPTTP53 | |
| SCHEMBL18208382 | 0.80 | HPGD (0.48) | NTRK1POLBCHRM4MAPTTP53 | |
| SCHEMBL18138914 | 0.79 | STS (0.49) | NTRK1HDAC1HDAC2USP30PTPN2 | |
| SCHEMBL18464772 | 0.79 | HSD17B10 (0.53) | HDAC1HDAC2POLBPTPN2PTPN1 | |
| SCHEMBL22315433 | 0.78 | NPSR1 (0.63) | NTRK1USP30POLBNPC1KMT2A |
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-4034538-A1 | NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2022-08-03 | — | — | EP | disclosed |
| CN-114401968-A | Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors | 豪夫迈·罗氏有限公司 | 2022-04-26 | — | — | CN | disclosed |