Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4032617 | 0.88 | ALDH1A1 (0.41) | MAPTCYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL4035028 | 0.84 | FAAH (0.38) | MAPTCYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL3925429 | 0.83 | CYP1A2 (0.41) | MAPTCYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL2943562 | 0.79 | CYP3A4 (0.36) | MAPTCYP2C19ALDH1A1CYP3A4KDM4E | |
| SCHEMBL4032819 | 0.79 | POLB (0.34) | MAPTALDH1A1HTTPOLB | |
| SCHEMBL2934155 | 0.79 | CHRM2 (0.47) | TSHRALDH1A1KDM4ESMN1; SMN2HTT | |
| SCHEMBL2940210 | 0.79 | ITGB3 (0.36) | TSHRALDH1A1HTT | |
| SCHEMBL2939906 | 0.79 | TPSAB1 (0.32) | MAPTALDH1A1HTT | |
| SCHEMBL4039393 | 0.78 | ATAD2 (0.42) | MAPTCYP2D6CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL3918968 | 0.77 | GAA (0.46) | MAPTCYP2D6CYP2C19TSHRALDH1A1 |
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-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |