Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 5/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6578460 | 0.93 | ALDH1A1 (0.47) | ALDH1A1ESR1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL9031488 | 0.89 | ALDH1A1 (0.54) | ALDH1A1ESR1NPSR1TP53HTT | |
| SCHEMBL9045396 | 0.81 | ALDH1A1 (0.41) | ALDH1A1NPSR1SMN1; SMN2HSD17B10HPGD | |
| SCHEMBL9853251 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ESR1MAPK1 | |
| SCHEMBL9340156 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TP53TDP1MAPT | |
| Mellitic Acid SCHEMBL28261182 | 0.72 | ALDH1A1 (0.56) | ALDH1A1RECQL | |
| SCHEMBL16300563 | 0.71 | TSHR (0.47) | ALDH1A1TAS1R3TAS1R1TAS1R2NPSR1 | |
| SCHEMBL1186952 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TDP1SMN1; SMN2RECQLHSD17B10 | |
| Alcohol SCHEMBL22160476 | 0.70 | TSHR (0.42) | ALDH1A1ESR1NPSR1TP53HTT | |
| SCHEMBL10472450 | 0.69 | ALDH1A1 (0.39) | ALDH1A1HTTSMN1; SMN2RECQLHSD17B10 |
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-0319906-A2 | Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them | Dainippon Pharmaceutical Co., Ltd. (JP) | 1989-06-14 | — | — | EP | disclosed |