Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PRKDC | P78527 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ERN1 | O75460 | 5/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24389243 | 0.89 | ALDH1A1 (0.57) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL31469616 | 0.87 | ALDH1A1 (0.72) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL1570740 | 0.87 | ALDH1A1 (0.72) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL27753912 | 0.87 | ALDH1A1 (0.72) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL12835408 | 0.86 | ALDH1A1 (0.59) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL10985031 | 0.84 | ALDH1A1 (0.57) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL629627 | 0.84 | NPC1 (0.60) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL3136850 | 0.84 | ALDH1A1 (0.90) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL19127201 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KDM4ETSHRTDP1LMNA | |
| SCHEMBL10849623 | 0.81 | ALDH1A1 (0.86) | ALDH1A1KDM4ETSHRTDP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2828269-B1 | BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA AND/OR BETA | COUNCIL SCIENT IND RES (IN) | 2018-05-16 | — | — | EP | disclosed |