Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14620048 | 0.79 | CYP1B1 (0.35) | CYP1B1SIRT2SIRT1ALDH1A1KDM4E | |
| SCHEMBL14620035 | 0.73 | CEL (0.33) | PTPRCPTPRFPTPN1CDC25B | |
| SCHEMBL14620420 | 0.69 | ALDH1A1 (0.38) | CYP1B1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL14620038 | 0.68 | CEL (0.32) | NR1I2 | |
| SCHEMBL14620060 | 0.67 | CYP1B1 (0.34) | CYP1B1SIRT2SIRT1ALDH1A1KDM4E | |
| SCHEMBL10898473 | 0.66 | CYP1A2 (0.42) | CYP1B1ALDH1A1ATMHPGDHSD17B10 | |
| SCHEMBL28045518 | 0.63 | CYP1B1 (0.59) | CYP1B1ALDH1A1KDM4EHPGDNPC1 | |
| SCHEMBL14620045 | 0.63 | EPHX1 (0.41) | ALDH1A1MAPK1HTTEPHX1 | |
| SCHEMBL5808557 | 0.63 | PTPN1 (0.35) | CYP1B1SIRT2SIRT1ALDH1A1ATM | |
| SCHEMBL14620044 | 0.62 | MAOA (0.36) | ALDH1A1KDM4EHPGDHSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007003520-A1 | FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2007-01-11 | — | — | WO | disclosed |