Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC29A1 | Q99808 | 3/20 | 0.49 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 SCHEMBL9591277 | 0.99 | PAX8 (0.48) | SLC29A1KCNQ2PAX8DRD3SMN1; SMN2 | |
| SCHEMBL9588632 | 0.91 | PAX8 (0.47) | SLC29A1KCNQ2PAX8DRD3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9589390 | 0.90 | PAX8 (0.48) | SLC29A1KCNQ2PAX8DRD3SMN1; SMN2 | |
| SCHEMBL9588975 | 0.89 | PAX8 (0.45) | SLC29A1KCNQ2PAX8DRD3SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9588913 | 0.88 | PAX8 (0.47) | SLC29A1KCNQ2PAX8DRD3SMN1; SMN2 | |
| SCHEMBL9588640 | 0.81 | SLC29A1 (0.48) | SLC29A1DRD3SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL11582477 | 0.81 | CA12 (0.52) | KCNQ2SMN1; SMN2KMT2AMEN1LDHA | |
| SCHEMBL9590105 | 0.80 | ALDH1A1 (0.50) | KCNQ2DRD3KMT2AMEN1ALDH1A1 | |
| SCHEMBL9588549 | 0.80 | SLC6A4 (0.48) | — | |
| Hydrochloric Acid SCHEMBL9589396 | 0.80 | SLC29A1 (0.47) | SLC29A1PAX8DRD3SMN1; SMN2KMT2A |
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-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | claimed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | claimed |
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | disclosed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | disclosed |