Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12266347 | 0.77 | CYP2A6 (0.55) | CYP2A6ALDH1A1MEN1CASP1CASP7 | |
| SCHEMBL1107219 | 0.77 | CYP2A6 (0.55) | CYP2A6ALDH1A1MEN1CASP1KMT2A | |
| SCHEMBL16023618 | 0.77 | CYP2A6 (0.55) | CYP2A6ALDH1A1MEN1CASP1CASP7 | |
| SCHEMBL25805441 | 0.77 | CYP2A6 (0.55) | CYP2A6ALDH1A1MEN1CASP1CASP7 | |
| SCHEMBL30060005 | 0.77 | CYP2A6 (0.55) | CYP2A6ALDH1A1MEN1CASP1CASP7 | |
| SCHEMBL24611854 | 0.77 | CYP2A6 (0.55) | CYP2A6ALDH1A1MEN1CASP1CASP7 | |
| SCHEMBL2919083 | 0.77 | CYP2A6 (0.55) | CYP2A6ALDH1A1MEN1KMT2AMMP2 | |
| SCHEMBL12434 | 0.77 | CYP2A6 (0.55) | CYP2A6ALDH1A1MMP2TSHRPDK1 | |
| SCHEMBL759925 | 0.76 | MGLL (0.52) | CYP2A6ALDH1A1MEN1CASP1CASP7 | |
| SCHEMBL2175943 | 0.76 | CYP2A6 (0.63) | CYP2A6ALDH1A1MEN1CASP1CASP7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | disclosed |