Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 2/20 | 0.40 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL2256427 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP2C19KIF11FABP4 | |
| SCHEMBL2255536 | 0.95 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C19KIF11FABP4 | |
| SCHEMBL11500366 | 0.76 | ALDH1A1 (0.43) | CYP1A2KIF11MAPTTDP1KDM4E | |
| SCHEMBL1616841 | 0.67 | TDP1 (0.59) | CYP1A2CYP2D6CYP2C19MAPTRXFP1 | |
| SCHEMBL6842066 | 0.67 | TDP1 (0.59) | CYP1A2CYP2D6CYP2C19MAPTRXFP1 | |
| SCHEMBL710750 | 0.67 | TDP1 (0.59) | CYP1A2CYP2D6CYP2C19MAPTRXFP1 | |
| SCHEMBL3732554 | 0.67 | TDP1 (0.59) | CYP1A2CYP2D6CYP2C19MAPTRXFP1 | |
| SCHEMBL3382572 | 0.67 | MAPT (0.58) | CYP1A2CYP2D6CYP2C19CNR2MAPT | |
| SCHEMBL29865603 | 0.67 | TDP1 (0.59) | CYP1A2CYP2D6CYP2C19MAPTRXFP1 | |
| SCHEMBL29865501 | 0.67 | TDP1 (0.59) | CYP1A2CYP2D6CYP2C19MAPTRXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8492507-B2 | Acetylenic polyamide | NEXAM CHEMICAL AB (SE) | 2013-07-23 | — | — | US | claimed |
| US-20110190469-A1 | ACETYLENIC POLYAMIDE | NEXAM CHEMICAL AB (SE) | 2011-08-04 | — | — | US | claimed |