Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 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 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL14141978 | 0.80 | CA2 (0.45) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL7756496 | 0.79 | ESR1 (0.50) | TSHRCA2CA1CA5ACA9 | |
| SCHEMBL10035138 | 0.76 | TSHR (0.46) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL9670633 | 0.75 | MLYCD (0.52) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL12318016 | 0.73 | TSHR (0.48) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL10085717 | 0.73 | TSHR (0.42) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL16301267 | 0.73 | TSHR (0.42) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL25495883 | 0.71 | TSHR (0.52) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL10086475 | 0.71 | TSHR (0.52) | MLYCDTSHRCA2CA1CA5A | |
| SCHEMBL428959 | 0.71 | MLYCD (0.77) | MLYCDRORCNR1H2NR1H3SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4999429-A | Process for the preparation of α,α,β-1-trifluoro-1-olefinic derivatives | ETHYL CORPORATION (US) | 1991-03-12 | — | — | US | disclosed |