Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | PTPRS | Q13332 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 1/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305590 | 0.77 | TRPM4 (0.56) | CYP1A2KMT2ATDP1MEN1RECQL | |
| SCHEMBL24116339 | 0.75 | CA12 (0.42) | CYP1A2KMT2ATDP1MEN1KDM4E | |
| SCHEMBL24116597 | 0.71 | SMAD3 (0.43) | CYP1A2KMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL677189 | 0.70 | NQO2 (0.62) | CYP1A2KMT2ATDP1ESR1ESR2 | |
| SCHEMBL31037122 | 0.70 | NQO2 (0.62) | CYP1A2KMT2ATDP1ESR1ESR2 | |
| SCHEMBL16107419 | 0.68 | TRPM4 (0.68) | CYP1A2ESR1ESR2LMNAHTT | |
| SCHEMBL29720904 | 0.67 | PTPN22 (0.54) | CYP1A2TDP1ESR1ESR2ALOX15 | |
| SCHEMBL3213734 | 0.67 | PTPN22 (0.54) | CYP1A2TDP1ESR1ESR2ALOX15 | |
| SCHEMBL5518748 | 0.67 | ESR1 (0.48) | CYP1A2ESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL1533447 | 0.66 | CYP1A2 (0.57) | CYP1A2KMT2ATDP1MEN1ESR1 |
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-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |