Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL12692275 | 0.85 | MAOA (0.43) | ALDH1A1MAPTMAOAMAOBKMT2A | |
| SCHEMBL15694588 | 0.77 | TRPA1 (0.44) | ESR1ESR2ALDH1A1MAPTTRPA1 | |
| SCHEMBL22702887 | 0.76 | ALDH1A1 (0.39) | ESR1ESR2ALDH1A1MAPTTRPA1 | |
| SCHEMBL21091003 | 0.75 | ESR1 (0.38) | ESR1ESR2ALDH1A1MAPTTRPA1 | |
| SCHEMBL715998 | 0.74 | TRPA1 (0.46) | ESR1ESR2ALDH1A1MAPTTRPA1 | |
| SCHEMBL29407046 | 0.74 | TRPA1 (0.46) | ESR1ESR2ALDH1A1MAPTTRPA1 | |
| SCHEMBL12655816 | 0.74 | ALDH1A1 (0.40) | ALDH1A1MAPTKMT2ACYP3A4TDP1 | |
| SCHEMBL6547365 | 0.72 | TRPA1 (0.48) | ESR1ESR2ALDH1A1MAPTTRPA1 | |
| SCHEMBL25464953 | 0.71 | CYP2D6 (0.40) | ALDH1A1MAPTMEN1KMT2ACYP3A4 | |
| SCHEMBL31621710 | 0.70 | ESR1 (0.44) | ESR1ESR2ALDH1A1MAPTTRPA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024101336-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 国立大学法人京都大学 | 2024-05-16 | — | — | WO | disclosed |