Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.35 |
| ▸ | TP53 | P04637 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 8/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27656404 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TP53SMN1; SMN2MAPTPOLB | |
| Furfural SCHEMBL28172662 | 0.79 | ALDH1A1 (0.64) | ALDH1A1NPC1MAPTPOLBHPGD | |
| Ethoxycarbonyl Group SCHEMBL27691649 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TP53SMN1; SMN2NPC1RAB9A | |
| Ethoxycarbonyl Group SCHEMBL27766174 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TP53SMN1; SMN2MAPTPOLB | |
| Ethoxycarbonyl Group SCHEMBL27495906 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TP53SMN1; SMN2RAB9AMAPT | |
| 1,2-Dichlorobenzene SCHEMBL27256387 | 0.75 | LMNA (0.43) | ALDH1A1TP53NPC1RAB9AMAPT | |
| Ethoxycarbonyl Group SCHEMBL28227169 | 0.75 | PTPN1 (0.44) | ALDH1A1TP53SMN1; SMN2NPC1RAB9A | |
| 1,4-Dichlorobenzene SCHEMBL27842897 | 0.74 | HSD17B10 (0.42) | ALDH1A1SMN1; SMN2MAPTKDM4EPOLB | |
| Ethoxycarbonyl Group SCHEMBL28116314 | 0.73 | — | — | |
| Chlorobenzene SCHEMBL28088147 | 0.73 | TSHR (0.46) | ALDH1A1SMN1; SMN2NPC1MAPTKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101318961-B | Fused heterocyclic compound | JANSSEN PHARMACEUTICA NV | 2012-11-28 | — | — | CN | disclosed |
| CN-101318962-A | Fused heterocyclic compound | JANSSEN PHARMACEUTICA NV (BE) | 2008-12-10 | — | — | CN | disclosed |
| CN-101318961-A | Fused heterocyclic compound | JANSSEN PHARMACEUTICA NV (BE) | 2008-12-10 | — | — | CN | disclosed |