Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18873949 | 0.80 | GRM5 (0.44) | ALDH1A1HPGDKMT2AMEN1NPC1 | |
| SCHEMBL10021803 | 0.77 | KMT2A (0.56) | ALDH1A1KMT2AMEN1NPC1TSHR | |
| SCHEMBL18289885 | 0.73 | TTR (0.35) | CYP1A2CYP2C9CYP2C19LMNAKMT2A | |
| SCHEMBL10021805 | 0.69 | MEN1 (0.37) | ALDH1A1HPGDCYP1A2CYP2C19KMT2A | |
| SCHEMBL10475108 | 0.68 | KMT2A (0.57) | ALDH1A1KMT2AMEN1NPC1TSHR | |
| SCHEMBL25014573 | 0.67 | NR1H2 (0.35) | ALDH1A1HPGDKMT2AMEN1MAPT | |
| SCHEMBL24011822 | 0.67 | GSTP1 (0.40) | ALDH1A1HPGDKMT2ABRD4NCOA1 | |
| SCHEMBL13498707 | 0.67 | DPP4 (0.46) | ALDH1A1HPGDLMNAKMT2AMEN1 | |
| SCHEMBL24011924 | 0.66 | GSTP1 (0.39) | MGLLBRD4NCOA1NCOA3 | |
| SCHEMBL14641470 | 0.66 | GSTP1 (0.42) | LMNAKMT2ANPC1TSHRRAB9A |
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-3101087-A1 | MULTIPLE CHROMOPHORES WITH A PERYLENEDIIMIDE SKELETON | BASF SE (DE) | 2016-12-07 | — | — | EP | disclosed |