Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.48 |
| ▸ | CES1 | P23141 | 6/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL2913778 | 0.86 | AKR1C3 (0.48) | NPSR1LMNAPOLBALDH1A1MAPT | |
| SCHEMBL15209960 | 0.85 | CES2 (0.56) | CES2CES1NPSR1LMNAPOLB | |
| SCHEMBL4851536 | 0.82 | ALDH1A1 (0.44) | LMNAPOLBALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL11194487 | 0.81 | CES2 (0.47) | CES2CES1NPSR1LMNAPOLB | |
| SCHEMBL11120196 | 0.80 | POLB (0.38) | NPSR1LMNAPOLBALDH1A1KDM4E | |
| SCHEMBL11199679 | 0.79 | CES2 (0.52) | CES2CES1LMNAPOLBALDH1A1 | |
| SCHEMBL6276445 | 0.77 | PPIA (0.45) | CES2CES1LMNAPOLBALDH1A1 | |
| SCHEMBL31000747 | 0.77 | PPIA (0.45) | CES2CES1LMNAPOLBALDH1A1 | |
| SCHEMBL28344530 | 0.75 | IKBKB (0.44) | LMNAPOLBALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL8574337 | 0.74 | CES2 (0.78) | CES2CES1ALDH1A1MAPTRAB9A |
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-2005123754-A2 | TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF | GEORGIA TECH RESEARCH CORPORATION (US) | 2005-12-29 | — | — | WO | disclosed |