Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24014370 | 0.85 | MEN1 (0.38) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL24007433 | 0.85 | MEN1 (0.38) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL24006867 | 0.84 | RECQL (0.34) | CES2CES1KCNH2PSEN1PSEN2 | |
| SCHEMBL30134086 | 0.76 | MEN1 (0.40) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL17310040 | 0.76 | MEN1 (0.40) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL20818058 | 0.76 | MEN1 (0.40) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL265533 | 0.75 | CES2 (0.52) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL31035929 | 0.75 | CES2 (0.52) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL15854160 | 0.75 | CES2 (0.52) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL2016730 | 0.75 | CES2 (0.52) | MEN1KMT2ACES2CES1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021226269-A1 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| WO-2021226208-A2 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |