Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13186034 | 0.93 | MLYCD (0.47) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL31134911 | 0.85 | PGK1 (0.41) | TSHRKMT2ANR1H2NR1H3RAB9A | |
| SCHEMBL12562886 | 0.79 | MLYCD (0.53) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL428959 | 0.79 | MLYCD (0.77) | MLYCDNR1H2NR1H3SMN1; SMN2 | |
| SCHEMBL11920703 | 0.77 | MLYCD (0.52) | MLYCDTSHRCA2NR1H3ALDH1A1 | |
| SCHEMBL19941883 | 0.77 | TSHR (0.50) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL25489552 | 0.77 | CYP1A1 (0.47) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL5530921 | 0.77 | MLYCD (0.52) | MLYCDTSHRCA2NR1H3ALDH1A1 | |
| SCHEMBL25489564 | 0.77 | TSHR (0.55) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL6239612 | 0.77 | TSHR (0.55) | MLYCDTSHRCA2CA1CA5A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0485837-A2 | Polycarbonate-polysiloxane copolymers with fluoralkylphenoxy end groups | BAYER AG (DE) | 1992-05-20 | — | — | EP | disclosed |