Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22917698 | 0.82 | KDM4E (0.57) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL3050512 | 0.81 | MEN1 (0.51) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL11747568 | 0.80 | TDP1 (0.70) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL11741086 | 0.78 | TDP1 (0.67) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL26930617 | 0.78 | TDP1 (0.63) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL11738163 | 0.78 | TDP1 (0.63) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL7650360 | 0.78 | NR1H2 (0.43) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL28250120 | 0.78 | MAPT (0.60) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL11735674 | 0.77 | TDP1 (0.62) | ALDH1A1KDM4EALOX15TDP1MEN1 | |
| SCHEMBL21586561 | 0.76 | TDP1 (0.63) | ALDH1A1KDM4EALOX15TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021015841-A1 | BORON-CONTAINING PHARMACOPHORE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2021-01-28 | — | — | WO | disclosed |