Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | ALKBH1 | Q13686 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3714673 | 0.80 | TSHR (0.43) | LIPEALDH1A1LMNACYP1A2PTGS1 | |
| SCHEMBL18586876 | 0.76 | ORAI1 (0.47) | POLBALDH1A1CYP1A2CYP2C19IDO1 | |
| SCHEMBL28857039 | 0.76 | KMT2A (0.46) | POLBALDH1A1LMNACYP1A2CYP2C19 | |
| SCHEMBL3658498 | 0.73 | IDO1 (0.40) | LIPELMNAIDO1ENPP2 | |
| SCHEMBL28652344 | 0.70 | TSHR (0.48) | LIPEALDH1A1LMNACYP1A2PTGS1 | |
| SCHEMBL18586469 | 0.70 | IDO1 (0.40) | LIPEALDH1A1LMNAIDO1 | |
| SCHEMBL18587306 | 0.70 | NPC1 (0.42) | LIPEPOLBLMNA | |
| SCHEMBL17674482 | 0.70 | KMT2A (0.44) | PIN1POLBALDH1A1LMNASLC6A2 | |
| SCHEMBL457443 | 0.70 | P4HTM (0.53) | PIN1LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL3723968 | 0.68 | ENPP2 (0.53) | CYP1A2LTA4HIDO1ENPP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2379534-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010072598-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |