Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | MCHR2 | Q969V1 | 3/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL19972543 | 0.86 | MCHR1 (0.44) | KCNH2MCHR2MCHR1CCNT1CDK9 | |
| SCHEMBL21141133 | 0.85 | KCNH2 (0.43) | KCNH2MCHR2MCHR1CCNT1CDK9 | |
| SCHEMBL25135199 | 0.80 | HRH2 (0.43) | KCNH2CCNT1CDK9ACHEROCK2 | |
| SCHEMBL25135195 | 0.76 | HRH2 (0.40) | HTR1AHTR1BDRD2CCR2HRH2 | |
| SCHEMBL26005871 | 0.75 | OPRL1 (0.38) | — | |
| SCHEMBL26005882 | 0.75 | IDO1 (0.33) | ROCK2 | |
| SCHEMBL26004878 | 0.74 | DRD2 (0.37) | KCNH2HTR1AHTR1BDRD2HRH2 | |
| SCHEMBL25135242 | 0.74 | KCNH2 (0.42) | KCNH2CDK9HTR1AHTR1BDRD2 | |
| SCHEMBL26006720 | 0.74 | DRD2 (0.36) | HTR1AHTR1BDRD2 | |
| SCHEMBL19972638 | 0.73 | CDK9 (0.34) | CCNT1CDK9ACHEDRD2HRH2 |
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-4230627-A2 | INHIBITORS OF THE MENIN-MLL INTERACTION | Vitae Pharmaceuticals, LLC (US) | 2023-08-23 | — | — | EP | disclosed |
| WO-2018053267-A1 | INHIBITORS OF THE MENIN-MLL INTERACTION | VITAE PHARMACEUTICALS, INC. (US) | 2018-03-22 | — | — | WO | disclosed |