Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | S100B | P04271 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24620497 | 0.86 | NOS3 (0.35) | NOS3NOS2S100BKDM4EPOLB | |
| SCHEMBL25531700 | 0.84 | NOS2 (0.45) | NOS3NOS2S100BKDM4EPOLB | |
| SCHEMBL11891674 | 0.81 | NOS3 (0.40) | NOS3NOS2KDM4EPOLBHTR2A | |
| SCHEMBL6652156 | 0.80 | ALDH1A1 (0.34) | NOS3NOS2S100BKDM4EPOLB | |
| SCHEMBL109396 | 0.79 | NOS2 (0.48) | NOS3NOS2S100BKDM4EPOLB | |
| SCHEMBL2954428 | 0.77 | NOS2 (0.42) | NOS3NOS2S100BKDM4EPOLB | |
| SCHEMBL6356384 | 0.77 | NOS3 (0.42) | NOS3NOS2S100BKDM4EPOLB | |
| SCHEMBL12886698 | 0.77 | ACHE (0.33) | NOS3NOS2 | |
| SCHEMBL20079594 | 0.77 | CYP3A4 (0.33) | NOS3NOS2CYP3A4ALDH1A1TSHR | |
| SCHEMBL15133727 | 0.76 | P2RX7 (0.34) | NOS3NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021096948-A1 | ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-05-20 | — | — | WO | disclosed |