Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11658726 | 1.00 | KMT2A (0.44) | KMT2ACYP2D6MEN1LMNATP53 | |
| SCHEMBL8145707 | 0.81 | KMT2A (0.42) | KMT2ACYP2D6MEN1LMNATP53 | |
| SCHEMBL24591445 | 0.73 | LTA4H (0.40) | KMT2ACYP2D6MEN1LMNATP53 | |
| SCHEMBL5482522 | 0.72 | — | — | |
| Perhexiline SCHEMBL6617096 | 0.71 | CYP2D6 (0.75) | KMT2ACYP2D6MEN1LMNATP53 | |
| SCHEMBL9330327 | 0.71 | KMT2A (0.37) | KMT2ACYP2D6MEN1LMNATP53 | |
| SCHEMBL5243718 | 0.69 | — | — | |
| SCHEMBL18924168 | 0.69 | TSHR (0.36) | KMT2ACYP1A2TSHRCHRM2CHRM4 | |
| SCHEMBL497088 | 0.69 | TSHR (0.36) | KMT2ACYP1A2TSHRCHRM2CHRM4 | |
| SCHEMBL18202924 | 0.69 | TSHR (0.36) | KMT2ACYP1A2TSHRCHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4150229-A | 2,5-Di-(ω-aminoalkyl-1')-pyrazines | CIBA-GEIGY CORPORATION (US) | 1979-04-17 | — | — | US | disclosed |