Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1481838 | 0.93 | CYP2A6 (0.31) | CYP2A6CYP2A13ALDH1A1TSHR | |
| SCHEMBL5917550 | 0.85 | KMT2A (0.36) | KMT2AHRH2HRH3CA1CA2 | |
| SCHEMBL21274549 | 0.74 | CA1 (0.33) | KMT2ACA1CA2CA4 | |
| SCHEMBL434234 | 0.70 | — | — | |
| SCHEMBL1074458 | 0.69 | — | — | |
| SCHEMBL69826 | 0.69 | — | — | |
| SCHEMBL295795 | 0.69 | — | — | |
| SCHEMBL35115 | 0.69 | KMT2A (0.33) | KMT2A | |
| SCHEMBL7391293 | 0.69 | KMT2A (0.33) | KMT2A | |
| SCHEMBL7377834 | 0.68 | TSHR (0.36) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-110981899-B | Polycyclic organoboron derivatives and electronic devices | 苏州久显新材料有限公司 | 2023-02-03 | — | — | CN | disclosed |