Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10150450 | 0.82 | KDM4E (0.42) | SMN1; SMN2HPGDRAB9AKDM4EALDH1A1 | |
| SCHEMBL12953231 | 0.63 | FFAR1 (0.41) | SMN1; SMN2 | |
| SCHEMBL25261825 | 0.62 | TLR4 (0.48) | — | |
| SCHEMBL24445794 | 0.61 | FFAR1 (0.39) | SMN1; SMN2 | |
| SCHEMBL30716819 | 0.61 | SMN1; SMN2 (0.43) | SMN1; SMN2RAB9AKDM4ECYP1A2CYP3A4 | |
| SCHEMBL4568816 | 0.60 | TLR4 (0.46) | — | |
| SCHEMBL17325397 | 0.59 | HPGD (0.37) | HPGDRAB9AALDH1A1TDP1 | |
| SCHEMBL11168536 | 0.58 | SIRT2 (0.53) | RAB9ATP53 | |
| SCHEMBL25720168 | 0.58 | LMNA (0.50) | SMN1; SMN2HPGDRAB9AKDM4EALDH1A1 | |
| SCHEMBL25826082 | 0.58 | TLR4 (0.44) | — |
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-2136799-B1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | UNIV STRASBOURG (FR) | 2017-10-04 | — | — | EP | disclosed |