Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | RECQL | P46063 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | BLM | P54132 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8017746 | 0.98 | ALDH1A1 (0.59) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL3696570 | 0.83 | ALDH1A1 (0.44) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL28037815 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL28234458 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL27852609 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL27896757 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL28312964 | 0.78 | TDP1 (0.40) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL7201343 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL28008899 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTRECQLTDP1BLM | |
| SCHEMBL28008400 | 0.77 | HDAC9 (0.41) | ALDH1A1MAPTRECQLTDP1BLM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0446706-A2 | Peptides with tachykinin-agonistic or -antagonistic activity | MERCK PATENT GmbH (DE) | 1991-09-18 | — | — | EP | disclosed |