Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | SYK | P43405 | 1/20 | 0.56 |
| ▸ | PTAFR | P25105 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | AXL | P30530 | 1/20 | 0.48 |
| ▸ | SPIN1 | Q9Y657 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SCN1A | P35498 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2088116 | 0.93 | SYK (0.65) | CYP2D6TSHRSYKKDM4ESLC29A1 | |
| SCHEMBL2087346 | 0.92 | CYP2D6 (0.71) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL4038948 | 0.88 | CYP2D6 (0.65) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL7959655 | 0.87 | TSHR (0.60) | CYP2D6TSHRSYKPTAFRKDM4E | |
| SCHEMBL12435658 | 0.85 | SYK (0.77) | CYP2D6TSHRSYKHTR2BSMN1; SMN2 | |
| SCHEMBL1667163 | 0.84 | AXL (0.61) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL12448367 | 0.84 | AXL (0.61) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL7956473 | 0.84 | TSHR (0.56) | CYP2D6TSHRSYKPTAFRKDM4E | |
| SCHEMBL4036285 | 0.81 | KDM4E (0.60) | CYP2D6TSHRSYKKDM4ETDP1 | |
| SCHEMBL7953003 | 0.80 | SYK (0.65) | CYP2D6TSHRSYKPTAFRKDM4E |
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-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |