Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL158515 | 0.81 | — | — | |
| Water SCHEMBL20543428 | 0.78 | — | — | |
| Benzoquinone SCHEMBL8505710 | 0.77 | ACHE (0.38) | HSD17B10KMT2AMAPTMEN1KDM4E | |
| SCHEMBL11783037 | 0.74 | POLB (0.35) | HPGDKMT2AMAPTMEN1ALDH1A1 | |
| Chloranil SCHEMBL9361589 | 0.72 | ACHE (0.58) | HSD17B10HPGDALOX15CYP2D6CYP2C9 | |
| Chloranil SCHEMBL8505358 | 0.69 | IDO1 (0.40) | HSD17B10HPGDALOX15CYP2D6CYP2C9 | |
| SCHEMBL11746446 | 0.68 | GAA (0.43) | CYP2C9CYP2C19KMT2AMAPTMEN1 | |
| Toluene SCHEMBL8859923 | 0.67 | ACHE (0.58) | HPGDCYP2C19KMT2AMEN1KDM4E | |
| SCHEMBL12132107 | 0.67 | RAB9A (0.44) | KMT2AMAPTMEN1KDM4EALDH1A1 | |
| SCHEMBL133666 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5932727-A | N-HETARENE-N-OXYL RING CLOSURE AGENT | CLARIANT GMBH (DE) | 1999-08-03 | — | — | US | disclosed |