Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.46 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | ACACA | Q13085 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11323535 | 0.86 | PTGS1 (0.68) | PTGS1ALOX5MEN1KMT2ACYP2D6 | |
| SCHEMBL8959967 | 0.83 | PTGS1 (0.59) | PTGS1ALOX5MEN1KMT2ACYP2D6 | |
| SCHEMBL7554763 | 0.83 | PTGS1 (0.59) | PTGS1ALOX5MEN1KMT2ACYP2D6 | |
| SCHEMBL10831106 | 0.83 | PTGS1 (0.59) | PTGS1ALOX5MEN1KMT2ACYP2D6 | |
| SCHEMBL7040469 | 0.82 | PTGS1 (0.77) | PTGS1ALOX5MEN1KMT2ACYP2D6 | |
| SCHEMBL7032448 | 0.82 | PTGS1 (0.77) | PTGS1ALOX5MEN1KMT2ACYP2D6 | |
| SCHEMBL11373799 | 0.81 | PTGS1 (0.60) | PTGS1ALOX5MEN1KMT2ACYP2D6 | |
| SCHEMBL741751 | 0.80 | MEN1 (0.58) | ALOX5MEN1KMT2ACYP2D6HDAC8 | |
| Hydrochloric Acid SCHEMBL8550499 | 0.78 | MEN1 (0.56) | ALOX5MEN1KMT2ACYP2D6HDAC8 | |
| SCHEMBL8796964 | 0.77 | PTGS1 (0.70) | PTGS1ALOX5MEN1KMT2ACYP2D6 |
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-1946680-B | Non-nucleoside reverse transcriptase inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-06 | — | — | CN | disclosed |