Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | RAD52 | P43351 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | MITF | O75030 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11810566 | 0.81 | KDM4E (0.56) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL436019 | 0.81 | NR4A2 (0.53) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL442077 | 0.81 | NR4A2 (0.45) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL442131 | 0.81 | NR4A2 (0.45) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL440270 | 0.81 | NR4A2 (0.62) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL11640984 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL17502194 | 0.76 | LMNA (0.52) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL438224 | 0.74 | NR4A2 (0.69) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL6088099 | 0.73 | SMN1; SMN2 (0.43) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 | |
| SCHEMBL3120572 | 0.72 | KDM4E (1.00) | KDM4EALDH1A1SMN1; SMN2POLBRAD52 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016022626-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |
| US-20120065166-A1 | Bone Modulators And Methods Therewith | ESPINA VIRGINIA (US) | 2012-03-15 | — | — | US | disclosed |