Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7854147 | 0.86 | PKM (0.57) | PKMKMT2AFFAR2CHRNB2CHRNA4 | |
| SCHEMBL12974928 | 0.82 | PKM (0.53) | PKMFFAR2CHRNB2CHRNA4EGFR | |
| SCHEMBL2661353 | 0.75 | PKM (0.67) | PKMALDH1A1KMT2AFFAR2CHRNB2 | |
| SCHEMBL4383929 | 0.75 | PKM (0.58) | PKMFFAR2CHRNB2CHRNA4EGFR | |
| SCHEMBL1012929 | 0.74 | — | — | |
| SCHEMBL4561823 | 0.72 | PKM (0.63) | PKMFFAR2EGFR | |
| SCHEMBL2402889 | 0.69 | PKM (0.44) | PKMFFAR2EGFRHCAR2 | |
| SCHEMBL19905402 | 0.69 | ALDH1A1 (0.59) | ALDH1A1KMT2AKDM4E | |
| SCHEMBL3994333 | 0.69 | — | — | |
| SCHEMBL3451050 | 0.69 | — | — |
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-1855672-A1 | HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006104646-A1 | HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-10-05 | — | — | WO | disclosed |