Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 6/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28535546 | 0.90 | KDM4E (0.50) | MAPTNPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL28542045 | 0.85 | HSD11B1 (0.48) | CYP3A4CYP2C19LMNAALDH1A1HTT | |
| SCHEMBL28547674 | 0.81 | CFTR (0.44) | CYP2C19LMNAALDH1A1HTTKDM4E | |
| SCHEMBL28546377 | 0.79 | MAPK1 (0.45) | CYP1A2CYP2C19LMNATP53ALDH1A1 | |
| SCHEMBL28542974 | 0.78 | TDP1 (0.40) | MAPTCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28535538 | 0.78 | SMN1; SMN2 (0.38) | MAPTRAB9ACYP1A2CYP2C19LMNA | |
| SCHEMBL28547606 | 0.78 | KMT2A (0.39) | MAPTCYP1A2LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL28551931 | 0.78 | ALDH1A1 (0.54) | MAPTCYP1A2CYP2C19LMNATP53 | |
| SCHEMBL984713 | 0.78 | LMNA (0.57) | MAPTNPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28537517 | 0.76 | KDM4E (0.44) | MAPTNPC1CYP1A2CYP2D6LMNA |
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-112457263-A | Novel method for synthesizing aryl sulfone derivative | 桂林理工大学 | 2021-03-09 | — | — | CN | disclosed |