Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11559770 | 0.88 | ALDH1A1 (0.46) | SKP2ALDH1A1FFAR4MAPTHTT | |
| SCHEMBL1183199 | 0.85 | ALDH1A1 (0.48) | SKP2ALDH1A1FFAR4MAPTHTT | |
| SCHEMBL8861189 | 0.84 | SHBG (0.41) | SKP2ALDH1A1MAPTHTTTP53 | |
| SCHEMBL29611372 | 0.83 | ALDH1A1 (0.41) | SKP2ALDH1A1CYP1A2ALOX15CASP7 | |
| SCHEMBL11413476 | 0.78 | SHBG (0.40) | SKP2ALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL3939073 | 0.77 | SKP2 (0.49) | SKP2ALDH1A1CYP1A2MAPTHTT | |
| SCHEMBL6131303 | 0.76 | GABRA1 (0.37) | ALDH1A1MAPTHTTCYP3A4NOS3 | |
| SCHEMBL6680469 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP1A2ALOX15CASP7HIF1A | |
| SCHEMBL29611970 | 0.76 | SHBG (0.55) | ALDH1A1HIF1AHSD17B10FFAR4HTT | |
| SCHEMBL18831681 | 0.76 | HTT (0.46) | SKP2ALDH1A1MAPTHTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-114621118-B | Lignin-based diphenylmethane diisocyanate and application thereof in preparation of polyurethane material | 南京工业大学 | 2023-12-01 | — | — | CN | disclosed |
| CN-114621118-A | Lignin-based diphenylmethane diisocyanate and application thereof in preparation of polyurethane material | 南京工业大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-113666845-B | Lignin-based diphenylmethane diisocyanate and preparation method and application thereof | 南京工业大学 | 2022-05-10 | — | — | CN | disclosed |