Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31501114 | 0.75 | HTT (0.47) | CYP1A2CYP2C9TSHRCYP2C19KMT2A | |
| SCHEMBL9632246 | 0.75 | HTT (0.38) | KCNA3KMT2AMAPTALDH1A1LMNA | |
| SCHEMBL9631875 | 0.73 | KCNA3 (0.34) | SLC6A2SLC6A4KCNA3KMT2AMAPT | |
| SCHEMBL9846350 | 0.70 | SLC6A2 (0.38) | SLC6A2SLC6A4KMT2ACHRM3 | |
| SCHEMBL9631982 | 0.70 | OPRM1 (0.41) | CYP1A2CYP2C9TSHRCYP2C19SLC6A2 | |
| SCHEMBL9631609 | 0.69 | KMT2A (0.45) | TSHRKCNA3KMT2AMAPTALDH1A1 | |
| SCHEMBL30999194 | 0.69 | CHRM3 (0.46) | SLC6A2SLC6A4MAPTALDH1A1LMNA | |
| SCHEMBL8638099 | 0.69 | ALDH1A1 (0.40) | KCNA3KMT2AMAPTALDH1A1LMNA | |
| SCHEMBL9631688 | 0.69 | ALDH1A1 (0.42) | CYP1A2CYP2C19SLC6A2SLC6A4KMT2A | |
| SCHEMBL15897807 | 0.67 | CHRM3 (0.50) | KCNA3KMT2AMAPTALDH1A1LMNA |
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 |