Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ERCC1 | P07992 | 5/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8526755 | 0.94 | NPY4R (0.35) | CYP2C9CYP2C19ERCC1ERCC4L3MBTL1 | |
| SCHEMBL8528690 | 0.86 | CYP2C9 (0.39) | CYP2C9CYP2C19MEN1HTTKMT2A | |
| SCHEMBL8525688 | 0.82 | NPY4R (0.38) | CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL8526744 | 0.81 | NPY4R (0.35) | CYP2C9CYP2C19HTT | |
| Trifluoroacetic Acid SCHEMBL8527841 | 0.81 | NPY4R (0.36) | CYP2C9CYP2C19 | |
| SCHEMBL6898666 | 0.80 | CYP2C9 (0.45) | CYP2C9CYP2C19MEN1THRBKMT2A | |
| SCHEMBL8526887 | 0.80 | KMT2A (0.33) | CYP2C9CYP2C19L3MBTL1MEN1KMT2A | |
| SCHEMBL8585843 | 0.78 | KMT2A (0.45) | MEN1ALDH1A1KMT2AMAPTLMNA | |
| SCHEMBL4651754 | 0.77 | NPY4R (0.39) | — | |
| SCHEMBL8125850 | 0.77 | PTPRB (0.42) | CYP2C9CYP2C19L3MBTL1ALDH1A1THRB |
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-0885186-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997019911-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |