Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | ERN1 | O75460 | 4/20 | 0.51 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL2476967 | 0.85 | CYP2A6 (0.65) | CYP2A6ERN1PRKDCMAPTMEN1 | |
| SCHEMBL4381193 | 0.74 | CYP2A6 (0.54) | CYP2A6ERN1MAPTALDH1A1PKM | |
| SCHEMBL10533687 | 0.73 | TDP1 (0.46) | CYP2A6ERN1MEN1KMT2ATDP1 | |
| SCHEMBL40953 | 0.73 | CYP2A6 (1.00) | CYP2A6ERN1MAPTMEN1KMT2A | |
| SCHEMBL30076672 | 0.73 | CYP2A6 (1.00) | CYP2A6ERN1MAPTMEN1KMT2A | |
| SCHEMBL21860989 | 0.70 | CYP2A6 (0.40) | CYP2A6ERN1PRKDCMAPTAPP | |
| SCHEMBL19961741 | 0.70 | CYP2A6 (0.56) | CYP2A6ERN1MAPTMEN1KMT2A | |
| SCHEMBL4033813 | 0.70 | KMT2A (0.46) | CYP2A6ERN1MEN1KMT2ATDP1 | |
| SCHEMBL9787033 | 0.70 | CNR2 (0.49) | CYP2A6ERN1PRKDCMAPTKDM4E | |
| SCHEMBL7974567 | 0.70 | CYP2A6 (0.92) | CYP2A6ERN1MAPTMEN1KMT2A |
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-105408325-B | cyanotriazole compounds | 大塚制药株式会社 | 2019-10-22 | — | — | CN | disclosed |