Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL26192490 | 1.00 | GAA (0.36) | GAASTING1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL328633 | 0.92 | STING1 (0.36) | GAASTING1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL12139131 | 0.86 | HSD17B10 (0.33) | STING1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL17521943 | 0.85 | STING1 (0.33) | STING1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL16751457 | 0.85 | LMNA (0.36) | STING1ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL25334575 | 0.85 | ALDH1A1 (0.41) | STING1ALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL6895085 | 0.85 | EPHX2 (0.35) | STING1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL12348352 | 0.82 | STING1 (0.34) | STING1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL24894291 | 0.81 | FDPS (0.36) | ALDH1A1 | |
| SCHEMBL12113226 | 0.81 | ALDH1A1 (0.50) | GAAALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-10648026-B2 | Raman cluster tagged molecules for biological imaging | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-05-12 | — | — | US | disclosed |