Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9633419 | 0.75 | OPRM1 (0.40) | KMT2AMEN1LMNAHCAR2CHRM3 | |
| SCHEMBL15897807 | 0.74 | CHRM3 (0.50) | KMT2AMAPTLMNATP53ALDH1A1 | |
| SCHEMBL2987228 | 0.72 | CHRM3 (0.54) | MAPTLMNATP53ALDH1A1CHRM3 | |
| SCHEMBL9616640 | 0.72 | MAPT (0.41) | KMT2AMAPTLMNATP53ALDH1A1 | |
| SCHEMBL1038462 | 0.71 | CHRM3 (0.60) | KMT2AMEN1MAPTLMNATP53 | |
| SCHEMBL30999194 | 0.70 | CHRM3 (0.46) | MAPTLMNATP53ALDH1A1CHRM3 | |
| SCHEMBL9632246 | 0.70 | HTT (0.38) | KMT2AMAPTLMNATP53ALDH1A1 | |
| SCHEMBL9633035 | 0.69 | CYP1A2 (0.39) | KMT2AMAPTLMNATP53ALDH1A1 | |
| SCHEMBL9633752 | 0.69 | KMT2A (0.48) | KMT2AMEN1MAPTLMNAALDH1A1 | |
| SCHEMBL9633769 | 0.68 | MEN1 (0.50) | KMT2AMEN1LMNAALDH1A1HCAR2 |
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 |