Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TOP1 | P11387 | 2/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28530516 | 0.85 | CYP3A4 (0.39) | CYP3A4TDP1MAPTBACE1MAP2K4 | |
| SCHEMBL28507834 | 0.78 | KMT2A (0.41) | CYP3A4TDP1METAP2MAPTALDH1A1 | |
| SCHEMBL28294651 | 0.78 | PSMB5 (0.45) | CYP3A4TDP1METAP2MAPTBACE1 | |
| SCHEMBL30444590 | 0.78 | KMT2A (0.41) | CYP3A4TDP1METAP2MAPTALDH1A1 | |
| SCHEMBL28907992 | 0.77 | KIF11 (0.46) | METAP2BACE1ALDH1A1TSHRTOP1 | |
| SCHEMBL29669657 | 0.77 | KIF11 (0.46) | METAP2BACE1ALDH1A1TSHRTOP1 | |
| SCHEMBL29635182 | 0.76 | TDP1 (0.50) | CYP3A4TDP1BACE1ALDH1A1CYP2A6 | |
| SCHEMBL4004840 | 0.76 | TDP1 (0.50) | CYP3A4TDP1BACE1ALDH1A1CYP2A6 | |
| SCHEMBL28491054 | 0.75 | CYP3A4 (0.44) | CYP3A4TDP1MAPTALDH1A1ALOX15 | |
| SCHEMBL32685426 | 0.74 | TDP1 (0.48) | CYP3A4TDP1BACE1ALDH1A1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112876507-B | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 湖北大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-112876507-A | Trisubstituted olefin tertiary phosphine compound and preparation method thereof | 湖北大学 | 2021-06-01 | — | — | CN | disclosed |
| CN-109851635-B | Novel alkylated monophosphine ligand and simple preparation method thereof | 湖北大学 | 2021-03-16 | — | — | CN | disclosed |
| CN-112250709-A | Synthesis method of ortho-aryl substituted tertiary phosphine compound | 湖北大学 | 2021-01-22 | — | — | CN | disclosed |