Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | HTT | P42858 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8938816 | 0.80 | TDP1 (0.35) | ALDH1A1TSHRTDP1ATMHIF1A | |
| SCHEMBL9528410 | 0.80 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1MAPK1MAPT | |
| SCHEMBL301080 | 0.78 | TDP1 (0.34) | ALDH1A1TDP1ATMHIF1AMEN1 | |
| SCHEMBL11049111 | 0.78 | TSHR (0.41) | ALDH1A1TSHRTDP1MAPK1MAPT | |
| SCHEMBL25356732 | 0.77 | GPR35 (0.36) | ALDH1A1TSHRTDP1ATMHIF1A | |
| SCHEMBL8002511 | 0.77 | MEN1 (0.38) | ALDH1A1TSHRTDP1MAPTHTT | |
| SCHEMBL6963561 | 0.77 | MAPT (0.41) | ALDH1A1TSHRTDP1MAPK1MAPT | |
| SCHEMBL6029272 | 0.74 | APP (0.40) | ALDH1A1TDP1HIF1AMAPTHTT | |
| SCHEMBL7513494 | 0.71 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1MAPK1ATM | |
| SCHEMBL14880530 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1MAPK1ATM |
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-111936472-A | Anti-malarial hexahydropyrimidine analogues | UCB生物制药有限责任公司 | 2020-11-13 | — | — | CN | disclosed |