Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.37 |
| ▸ | WNT3A | P56704 | 2/20 | 0.37 |
| ▸ | KIT | P10721 | 4/20 | 0.37 |
| ▸ | BRAF | P15056 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3669352 | 0.83 | PDE2A (0.41) | NOS2PDE2AROCK2FAAHCTNNB1 | |
| SCHEMBL8367478 | 0.81 | CNR1 (0.40) | PDE2AFAAHCTNNB1WNT3AHTT | |
| SCHEMBL2663369 | 0.80 | CTNNB1 (0.41) | FAAHCTNNB1WNT3AHTTNPSR1 | |
| SCHEMBL8184134 | 0.79 | CTNNB1 (0.42) | NOS2PDE2AROCK2FAAHCTNNB1 | |
| SCHEMBL18656445 | 0.79 | KDM4E (0.41) | NOS2PDE2AROCK2FAAHCTNNB1 | |
| SCHEMBL3750115 | 0.79 | ADH1B (0.42) | NOS2PDE2AROCK2FAAHCTNNB1 | |
| SCHEMBL26026103 | 0.77 | NOS2 (0.41) | NOS2PDE2AROCK2FAAHCTNNB1 | |
| SCHEMBL16839695 | 0.76 | LTA4H (0.41) | NOS2ROCK2FAAHCTNNB1WNT3A | |
| SCHEMBL24425768 | 0.75 | KIF11 (0.42) | ROCK2FAAHCTNNB1WNT3AHTT | |
| SCHEMBL27044834 | 0.75 | SKP2 (0.42) | FAAHCTNNB1WNT3AHTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017049321-A1 | BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION | MILLER MARVIN J (US) | 2017-03-23 | — | — | WO | disclosed |
| EP-0424125-A2 | Aralkylamine derivatives, preparation method thereof and fungicides containing the same | UBE INDUSTRIES, LTD. (JP) | 1991-04-24 | — | — | EP | disclosed |