Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
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 SCHEMBL10440073 | 0.99 | ALDH1A1 (0.47) | ALDH1A1TBXAS1MEN1KMT2AHTT | |
| SCHEMBL9716441 | 0.89 | TBXAS1 (0.41) | ALDH1A1TBXAS1MEN1KMT2AHTT | |
| SCHEMBL9716372 | 0.85 | TBXAS1 (0.43) | ALDH1A1TBXAS1MEN1KMT2AHTT | |
| Hydrochloric Acid SCHEMBL10384984 | 0.83 | APAF1 (0.47) | ALDH1A1MEN1KMT2AHTTNPSR1 | |
| SCHEMBL15924370 | 0.82 | TBXAS1 (0.69) | ALDH1A1TBXAS1MEN1KMT2AHTT | |
| Hydrochloric Acid SCHEMBL10384997 | 0.80 | MEN1 (0.36) | MEN1KMT2AHTTNPSR1MAPK1 | |
| SCHEMBL10385452 | 0.78 | MEN1 (0.54) | ALDH1A1MEN1KMT2AHTTLMNA | |
| SCHEMBL9720214 | 0.78 | MEN1 (0.54) | ALDH1A1MEN1KMT2AHTTLMNA | |
| SCHEMBL501943 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TBXAS1MEN1KMT2AHTT | |
| Hydrochloric Acid SCHEMBL9720170 | 0.77 | MEN1 (0.34) | MEN1KMT2AHTTNPSR1MAPK1 |
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-5081245-A | Selective antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0356765-A2 | Carboxylic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-03-07 | — | — | EP | disclosed |