Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 3/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28605759 | 0.76 | CYP2C9 (0.54) | CYP1A2CYP2C9CYP2C19CALM1SLC6A2 | |
| SCHEMBL9792024 | 0.76 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TSHRCALM1 | |
| SCHEMBL4052885 | 0.76 | CYP2C9 (0.54) | CYP1A2CYP2C9CYP2C19CALM1SLC6A2 | |
| SCHEMBL8208882 | 0.76 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TSHRCALM1 | |
| SCHEMBL2562928 | 0.74 | TAAR1 (0.48) | CYP1A2TSHRTAAR1KIF11 | |
| Phosphine SCHEMBL7910929 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19TSHRCALM1 | |
| SCHEMBL4186835 | 0.73 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19TSHRCALM1 | |
| SCHEMBL10936747 | 0.73 | SLC6A2 (0.52) | CYP1A2CYP2C9CYP2C19TSHRSLC6A2 | |
| SCHEMBL15225151 | 0.73 | SLC6A2 (0.52) | CYP1A2CYP2C9CYP2C19TSHRSLC6A2 | |
| SCHEMBL8586998 | 0.73 | CYP2C9 (0.61) | CYP1A2CYP2C9CYP2C19TSHRSLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3475282-A1 | [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR | H. Hoffnabb-La Roche Ag (CH) | 2019-05-01 | — | — | EP | disclosed |
| WO-2017220517-A1 | [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-28 | — | — | WO | disclosed |