Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 9/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17189279 | 0.70 | KIF11 (0.53) | KIF11CHRM2CHRM1CHRM3CHRM4 | |
| SCHEMBL6575940 | 0.70 | CHRM2 (0.47) | KIF11CHRM2CHRM1CHRM3CHRM4 | |
| SCHEMBL27787452 | 0.69 | PARP1 (0.55) | KIF11PARP1POLBCYP3A4MAPT | |
| SCHEMBL30112011 | 0.69 | PARP1 (0.55) | KIF11PARP1POLBCYP3A4MAPT | |
| SCHEMBL8324897 | 0.69 | PARP1 (0.60) | KIF11PARP1POLBCYP3A4MAPT | |
| Benzoic Acid SCHEMBL28640514 | 0.69 | DAO (0.45) | KCNH2CTDSP1POLBTSHR | |
| Benzoic Acid SCHEMBL28890683 | 0.67 | TSHR (0.56) | LMNAKCNH2MAPTTSHRTDP1 | |
| SCHEMBL27989141 | 0.67 | PARP1 (0.57) | KIF11PARP1POLBCYP3A4MAPT | |
| SCHEMBL179447 | 0.67 | ACHE (0.62) | KIF11PARP1POLBCYP3A4MAPT | |
| SCHEMBL5407609 | 0.67 | CHRM4 (0.49) | KIF11CHRM2CHRM1CHRM3CHRM4 |
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-101072561-A | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS INC (US) | 2007-11-14 | — | — | CN | disclosed |