Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7010865 | 0.76 | ALDH1A1 (0.47) | MEN1KMT2AALDH1A1CYP2D6HPGD | |
| SCHEMBL16700032 | 0.74 | ALDH1A1 (0.43) | MEN1KMT2AALDH1A1HCAR2CYP2D6 | |
| SCHEMBL16700988 | 0.74 | ALDH1A1 (0.45) | MEN1KMT2AALDH1A1HCAR2CYP2D6 | |
| SCHEMBL9633752 | 0.72 | KMT2A (0.48) | MEN1KMT2AALDH1A1CYP2D6HPGD | |
| SCHEMBL2593341 | 0.72 | ITGA4 (0.48) | ALDH1A1CYP2D6HPGDSMN1; SMN2HTT | |
| SCHEMBL9631688 | 0.70 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1CYP2D6HPGD | |
| SCHEMBL29438096 | 0.68 | VNN1 (0.52) | MEN1KMT2AALDH1A1HCAR2CYP2D6 | |
| SCHEMBL19322923 | 0.68 | VNN1 (0.52) | MEN1KMT2AALDH1A1HCAR2CYP2D6 | |
| SCHEMBL9631609 | 0.68 | KMT2A (0.45) | MEN1KMT2AALDH1A1HCAR2HTT | |
| SCHEMBL12592061 | 0.67 | MEN1 (1.00) | MEN1KMT2AHTT |
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-5120861-A | DIAZIRINE DERIVATIVES OF AROMATIC HETEROCYCLIC COMPOUNDS | SHELL RESEARCH LIMITED (GB) | 1992-06-09 | — | — | US | disclosed |
| EP-0432817-A1 | Diazirine derivatives of aromatic heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |