Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28703859 | 0.86 | CES2 (0.61) | CES2CES1PTPN1HDAC3GAA | |
| SCHEMBL3506264 | 0.82 | CES2 (0.59) | CES2CES1PTPN1HDAC3KDM4E | |
| SCHEMBL14387752 | 0.78 | CES2 (0.43) | CES2CES1PTPN1HDAC3KDM4E | |
| Acetic Acid SCHEMBL29171931 | 0.77 | ERCC5 (0.54) | CES2CES1PTPN1HDAC3KDM4E | |
| SCHEMBL5013142 | 0.76 | CES2 (0.57) | CES2CES1PTPN1HDAC3KDM4E | |
| SCHEMBL8015775 | 0.76 | CES2 (0.68) | CES2CES1PTPN1KDM4EGAA | |
| SCHEMBL3507027 | 0.75 | HDAC3 (0.55) | CES2CES1PTPN1HDAC3GAA | |
| SCHEMBL15233 | 0.74 | CES2 (1.00) | CES2CES1PTPN1MAPTRAB9A | |
| SCHEMBL2155972 | 0.74 | CES2 (1.00) | CES2CES1PTPN1MAPTRAB9A | |
| SCHEMBL9577885 | 0.74 | CES2 (0.65) | CES2CES1PTPN1HDAC3GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4145366-A | ACID CATALYST | TEIJIN LIMITED (JP) | 1979-03-20 | — | — | US | claimed |
| US-4145366-A | ACID CATALYST | TEIJIN LIMITED (JP) | 1979-03-20 | — | — | US | disclosed |
| US-4100180-A | PLATINUM OXIDE CATALYST | TEIJIN, LIMITED (JP) | 1978-07-11 | — | — | US | disclosed |