Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | MELK | Q14680 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL130843 | 0.90 | — | — | |
| Pyridine SCHEMBL28096581 | 0.76 | TSHR (0.38) | NOS1NPSR1LRRK2 | |
| SCHEMBL12285332 | 0.74 | NOS3 (0.38) | NOS1SMN1; SMN2 | |
| SCHEMBL6883030 | 0.73 | ALDH1A1 (0.46) | HTR3AMELKRAB9ASMN1; SMN2 | |
| SCHEMBL20847625 | 0.72 | MELK (0.62) | MELKRAB9ASMN1; SMN2 | |
| SCHEMBL17247324 | 0.72 | HRH4 (0.47) | NOS1SMN1; SMN2 | |
| SCHEMBL17276502 | 0.72 | NOS1 (0.43) | NOS1 | |
| SCHEMBL10195707 | 0.71 | OGA (0.48) | ALOX15GSK3BSMN1; SMN2 | |
| SCHEMBL4553110 | 0.69 | AURKB (0.35) | ALOX15TP53LRRK2KDRGSK3B | |
| Hydrochloric Acid SCHEMBL28071645 | 0.69 | AURKA (0.31) | NOS1AURKB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8084631-B2 | Polyol formed from an EPOXIDIZED oil | BASF SE (DE) | 2011-12-27 | — | — | US | disclosed |
| WO-2009138411-A1 | POLYOL FORMED FROM AN EPOXIDIZED OIL | BASF SE (DE) | 2009-11-19 | — | — | WO | disclosed |