Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ACSL1 | P33121 | 8/20 | 0.33 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.33 |
| ▸ | ESRRA | P11474 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19023135 | 0.77 | IKBKB (0.47) | MAPTCHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL19023229 | 0.77 | MAPT (0.53) | MAPTCHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL27256224 | 0.63 | ACSL1 (0.58) | MAPTKDM4EACSL1ACACB | |
| SCHEMBL26780280 | 0.63 | ACSL1 (0.69) | MAPTKDM4EACSL1 | |
| SCHEMBL15165806 | 0.60 | CHRNB2 (0.48) | CHRNB2CHRNA4KDM4EALDH1A1LMNA | |
| SCHEMBL13035828 | 0.60 | ALDH1A1 (0.56) | MAPTKDM4EALDH1A1LMNAESRRA | |
| SCHEMBL14344232 | 0.60 | MAPT (0.69) | MAPTKDM4EALDH1A1LMNAHSD17B10 | |
| SCHEMBL8109270 | 0.59 | MAPT (0.67) | MAPTKDM4EALDH1A1LMNAHSD17B10 | |
| SCHEMBL19848984 | 0.59 | ACACB (0.59) | ACACB | |
| SCHEMBL16519534 | 0.58 | BRPF1 (0.50) | — |
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-2017107087-A1 | 6, 7-DIHYDRO-5H-PYRROLO [3, 4-B] PYRIDIN-5-ONEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |