Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL287236 | 0.87 | TSHR (0.65) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3723193 | 0.84 | TSHR (0.57) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28184209 | 0.84 | TSHR (0.66) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27456840 | 0.84 | TSHR (0.61) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7077091 | 0.84 | TSHR (0.61) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27554225 | 0.84 | TSHR (0.61) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28879992 | 0.84 | TSHR (0.61) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28268178 | 0.84 | TSHR (0.61) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6516491 | 0.82 | TSHR (0.51) | TSHRLMNAALDH1A1ALOX15MAOA | |
| SCHEMBL12473702 | 0.82 | TSHR (0.54) | TSHRLMNACYP1A2CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2603496-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012019966-A1 | 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |
| WO-2010128058-A1 | DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |