Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.37 |
| ▸ | HTR1D | P28221 | 6/20 | 0.35 |
| ▸ | HTR1B | P28222 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28463442 | 0.93 | KIF11 (0.41) | KIF11HTR1DHTR1BHTR1AALDH1A1 | |
| SCHEMBL28463432 | 0.90 | KIF11 (0.37) | KIF11HTR1DHTR1BHTR1AALDH1A1 | |
| SCHEMBL28464304 | 0.90 | KIF11 (0.37) | KIF11HTR1DHTR1BHTR1AALDH1A1 | |
| SCHEMBL28483399 | 0.79 | KIF11 (0.41) | KIF11HTR1DHTR1BHTR1AALDH1A1 | |
| SCHEMBL2971945 | 0.65 | KDM4E (0.35) | ALDH1A1HPGDTDP1MEN1GAA | |
| SCHEMBL1923230 | 0.65 | HTR1D (0.39) | KIF11HTR1DHTR1BHTR1AALDH1A1 | |
| SCHEMBL2072959 | 0.63 | KIF11 (0.43) | KIF11HTR1DHTR1BHTR1AALDH1A1 | |
| SCHEMBL2249216 | 0.62 | ALDH1A1 (0.41) | KIF11ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL29535 | 0.60 | KIF11 (0.81) | KIF11HTR1DHTR1BHTR1AALDH1A1 | |
| SCHEMBL29361452 | 0.60 | KIF11 (0.81) | KIF11HTR1DHTR1BHTR1AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111747981-A | Transition metal compound and preparation method and application thereof | 万华化学集团股份有限公司 | 2020-10-09 | — | — | CN | claimed |
| CN-111747981-A | Transition metal compound and preparation method and application thereof | 万华化学集团股份有限公司 | 2020-10-09 | — | — | CN | disclosed |