Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.33 |
| ▸ | WNT3A | P56704 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27817926 | 0.83 | CA1 (0.56) | CA1CA9NAMPTALDH1A1LMNA | |
| Butyrolactone SCHEMBL10683517 | 0.81 | CA1 (0.64) | CA1CA9NAMPTALDH1A1LMNA | |
| Toluene SCHEMBL17041894 | 0.80 | CA1 (0.52) | CA1CA9NAMPTALDH1A1LMNA | |
| Phenol SCHEMBL27429751 | 0.80 | CA1 (0.52) | CA1CA9NAMPTALDH1A1LMNA | |
| Butyrolactone SCHEMBL28593664 | 0.78 | CA1 (0.45) | CA1CA9NAMPTALDH1A1LMNA | |
| O-Xylene SCHEMBL10486830 | 0.78 | CA1 (0.54) | CA1CA9NAMPTALDH1A1LMNA | |
| Butyrolactone SCHEMBL9421121 | 0.78 | — | — | |
| Butyrolactone SCHEMBL1271043 | 0.78 | CA1 (0.82) | CA1CA9NAMPTALDH1A1LMNA | |
| Butyrolactone SCHEMBL29433925 | 0.78 | — | — | |
| Butyrolactone SCHEMBL27720055 | 0.78 | CA1 (0.82) | CA1CA9NAMPTALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106187863-A | The preparation method of penfluridol | 湖南中南制药有限责任公司 | 2016-12-07 | — | — | CN | disclosed |