Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL15869703 | 0.82 | GAA (0.48) | ALDH1A1TSHRKDM4ETDP1GAA | |
| SCHEMBL27991673 | 0.79 | GAA (0.41) | ALDH1A1TSHRKDM4ETDP1GAA | |
| SCHEMBL5166833 | 0.78 | P2RX3 (0.45) | GAAMGAMSIMGAM2P2RX3 | |
| SCHEMBL30184867 | 0.78 | DPP4 (0.31) | — | |
| SCHEMBL10051490 | 0.78 | PRKDC (0.52) | ALDH1A1TSHRKDM4ETDP1GAA | |
| SCHEMBL27661831 | 0.75 | GAA (0.40) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL27993307 | 0.74 | MGAM (0.41) | ALDH1A1TSHRGAAMGAMSI | |
| SCHEMBL30457424 | 0.73 | ERN1 (0.38) | ALDH1A1GAAERN1MAPT | |
| SCHEMBL28821877 | 0.72 | — | — | |
| SCHEMBL2464213 | 0.71 | HTT (0.34) | ALDH1A1TSHRKDM4ETDP1PRKDC |
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 |
|---|---|---|---|---|---|---|---|
| CN-104349777-A | Compounds for the treatment of spinal muscular atrophy | PTC THERAPEUTICS INC | 2015-02-11 | — | — | CN | disclosed |