Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL9716472 | 0.81 | S1PR5 (0.37) | S1PR5THRATHRBCHRM3HRH3 | |
| Hydrochloric Acid SCHEMBL10384999 | 0.76 | PLA2G2A (0.33) | — | |
| SCHEMBL10385452 | 0.75 | MEN1 (0.54) | ALDH1A1THRBMEN1KMT2ALMNA | |
| SCHEMBL9720214 | 0.75 | MEN1 (0.54) | ALDH1A1THRBMEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL10384986 | 0.75 | PLA2G2A (0.32) | — | |
| Hydrochloric Acid SCHEMBL9720178 | 0.74 | MEN1 (0.35) | THRBMEN1KMT2AMAPT | |
| SCHEMBL9720202 | 0.72 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10440073 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10384984 | 0.72 | APAF1 (0.47) | ALDH1A1MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL9720221 | 0.71 | PLA2G2A (0.38) | ALDH1A1KDM4ETHRBMEN1KMT2A |
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 |