Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27700248 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| SCHEMBL13252228 | 0.87 | ALDH1A1 (0.51) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| Methane SCHEMBL25287143 | 0.87 | ALDH1A1 (0.55) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| SCHEMBL18138391 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| Carbamic Acid SCHEMBL28102203 | 0.81 | RAB9A (0.54) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| SCHEMBL28533256 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| SCHEMBL11251378 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| SCHEMBL18159080 | 0.81 | LMNA (0.43) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| SCHEMBL16181224 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E | |
| SCHEMBL187211 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP2D6L3MBTL1CYP3A4KDM4E |
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-2402314-A1 | (Aza)indole derivative and use thereof for medical purposes | Kissei Pharmaceutical Co., Ltd. (JP) | 2012-01-04 | — | — | EP | disclosed |