Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.38 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | GBA2 | Q9HCG7 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9720216 | 0.87 | MEN1 (0.59) | MEN1KMT2AHTTTHRBMAPT | |
| SCHEMBL8642769 | 0.84 | SPHK1 (0.44) | HTTMAPTPTPN1LMNACYP3A4 | |
| SCHEMBL8641203 | 0.84 | SPHK1 (0.44) | HTTMAPTPTPN1LMNACYP3A4 | |
| Hydrochloric Acid SCHEMBL10385517 | 0.83 | PRKD3 (0.43) | MEN1KMT2AHTTTHRBMAPT | |
| SCHEMBL9720204 | 0.83 | MEN1 (0.46) | MEN1KMT2AHTTTHRBMAPT | |
| SCHEMBL22890965 | 0.79 | TSHR (0.55) | MEN1KMT2AHTTTHRBMAPT | |
| Isopropyl Alcohol SCHEMBL10959119 | 0.78 | MEN1 (0.83) | MEN1KMT2AHTTTHRBMAPT | |
| SCHEMBL5172275 | 0.78 | MEN1 (0.55) | MEN1KMT2AHTTTHRBMAPT | |
| SCHEMBL20496746 | 0.77 | MEN1 (0.68) | MEN1KMT2AHTTTHRBMAPT | |
| SCHEMBL265974 | 0.77 | MEN1 (0.68) | MEN1KMT2AHTTTHRBMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| US-4920134-A | ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-04-24 | — | — | US | disclosed |
| EP-0356765-A2 | Carboxylic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-03-07 | — | — | EP | disclosed |
| EP-0302744-A2 | Glycerol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-08 | — | — | EP | disclosed |