Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11792898 | 0.90 | GRIN2D (0.40) | HMGCRPTPN1PTPN11ALDH1A1TSHR | |
| SCHEMBL27572760 | 0.87 | TYR (0.46) | HMGCRALDH1A1TSHRCYP3A4ALOX5 | |
| SCHEMBL3466279 | 0.83 | HMGCR (0.38) | HMGCRPTPN1PTPN11ALDH1A1TSHR | |
| SCHEMBL15437715 | 0.83 | ALOX5 (0.50) | ALDH1A1TSHRCYP3A4ALOX5TYR | |
| SCHEMBL29115679 | 0.81 | PTK2 (0.39) | HMGCRPTPN1PTPN11ALDH1A1CYP3A4 | |
| SCHEMBL4633587 | 0.81 | HMGCR (0.37) | HMGCRPTPN1PTPN11ALDH1A1CNR1 | |
| SCHEMBL5678813 | 0.81 | HMGCR (0.52) | HMGCRPTPN1PTPN11ALDH1A1CNR1 | |
| SCHEMBL5377509 | 0.81 | AR (0.39) | HMGCRPTPN1PTPN11ALDH1A1NOS3 | |
| SCHEMBL11682168 | 0.79 | TYR (0.50) | TSHRCYP3A4ALOX5TYRHTT | |
| SCHEMBL25533338 | 0.79 | GRIN2D (0.33) | HMGCRPTPN1PTPN11TSHRMPO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5264407-A | Crystalline metalloaluminum borates | AMOCO CORPORATION (US) | 1993-11-23 | — | — | US | disclosed |
| US-5084259-A | Catalysts for hydrogenation of hydrocarbons | AMOCO CORPORATION (US) | 1992-01-28 | — | — | US | disclosed |
| US-4863888-A | Catalyst containing cobalt boron and oxygen and optionally aluminum of preparation and process | AMOCO CORPORATION (US) | 1989-09-05 | — | — | US | disclosed |
| US-4005156-A | Novel flame retardant compositions of matter | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1977-01-25 | — | — | US | disclosed |