Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2457833 | 0.83 | CYP1B1 (0.51) | CYP1B1ALDH1A1SMN1; SMN2HPGDCASP1 | |
| SCHEMBL10086968 | 0.80 | P2RX4 (0.43) | HPGDMAPK1LMNAMAPTSIRT2 | |
| SCHEMBL9338812 | 0.73 | CYP1B1 (0.43) | CYP1B1ALDH1A1SMN1; SMN2HPGDCASP1 | |
| SCHEMBL2757065 | 0.73 | POLB (0.41) | CYP1B1ALDH1A1HPGDCASP1MAPK1 | |
| SCHEMBL12235642 | 0.72 | CYP1B1 (0.63) | CYP1B1ALDH1A1SMN1; SMN2HPGDCASP1 | |
| SCHEMBL9835835 | 0.71 | NR1H2 (0.56) | CYP1B1ALDH1A1SMN1; SMN2HPGDCASP1 | |
| SCHEMBL12394169 | 0.71 | GSTP1 (0.42) | CYP1B1LMNASIRT2SIRT1 | |
| SCHEMBL12394191 | 0.71 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2HPGDCASP1MAPK1 | |
| SCHEMBL12394197 | 0.67 | CYP11B1 (0.37) | ALDH1A1SMN1; SMN2HPGDCASP1MAPK1 | |
| SCHEMBL14560576 | 0.66 | MAPK1 (0.62) | CYP1B1ALDH1A1SMN1; SMN2MAPK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1399514-B1 | FLUORESCENT DIKETOPYRROLOPYRROLES | BASF SE (DE) | 2012-01-11 | — | — | EP | disclosed |
| US-7749404-B2 | Fluorescent diketopyrrolopyrroles | CIBA SPECIALTY CHEMICALS CORP. (US) | 2010-07-06 | — | — | US | disclosed |
| US-7749404-B2 | Fluorescent diketopyrrolopyrroles | CIBA SPECIALTY CHEMICALS CORP. (US) | 2010-07-06 | — | — | US | disclosed |