Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | PDE2A | O00408 | 2/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL24013661 | 1.00 | MEN1 (0.40) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL12201731 | 0.83 | MEN1 (0.40) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL23771856 | 0.83 | RECQL (0.36) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL13263944 | 0.79 | PDE2A (0.44) | CES2CES1KCNH2PDE2AGCGR | |
| SCHEMBL2016730 | 0.78 | CES2 (0.52) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL15854160 | 0.78 | CES2 (0.52) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL265533 | 0.78 | CES2 (0.52) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL31035929 | 0.78 | CES2 (0.52) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL24006637 | 0.77 | MEN1 (0.41) | MEN1KMT2ACES2CES1KCNH2 | |
| SCHEMBL24869041 | 0.77 | MEN1 (0.41) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021226208-A2 | HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS | NUVALENT, INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| EP-2374794-A1 | CYCLIC AMINE COMPOUNDS | Daiichi Sankyo Company, Limited (JP) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010074089-A1 | INDANYL COMPOUNDS | 第一三共株式会社 (JP) | 2010-07-01 | — | — | WO | disclosed |