Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16566456 | 0.78 | KMT2A (0.44) | MAPTRAB9AMEN1KMT2AHTT | |
| SCHEMBL16566451 | 0.75 | CCR1 (0.38) | DRD2DRD3MEN1KMT2AHTT | |
| SCHEMBL8910378 | 0.74 | — | — | |
| SCHEMBL27740593 | 0.70 | MAPT (0.43) | ELANEF2CTSGCMA1CTRC | |
| SCHEMBL9678667 | 0.70 | ADRB1 (0.56) | ELANEF2CTSGCMA1CTRC | |
| SCHEMBL20121230 | 0.69 | F2 (0.35) | ELANEF2CTSGCTRC | |
| SCHEMBL14734297 | 0.68 | DRD2 (0.63) | ELANEF2CTSGCMA1CTRC | |
| SCHEMBL13814000 | 0.67 | MEN1 (0.45) | DRD2ADRB1MAPTRAB9AMEN1 | |
| SCHEMBL19540561 | 0.66 | KDM4E (0.53) | ADRB1MAPTRAB9AGAANPSR1 | |
| SCHEMBL16576931 | 0.64 | MEN1 (0.46) | ELANEF2CTSGCMA1CTRC |
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 |
|---|---|---|---|---|---|---|---|
| US-9962383-B2 | Compounds, compositions and methods of agelastatin alkaloids | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2018-05-08 | — | — | US | disclosed |