Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 13/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.35 |
| ▸ | GABRE | P78334 | 2/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6893225 | 0.74 | PIK3CA (0.46) | MTORPIK3CA | |
| SCHEMBL503410 | 0.73 | MTOR (0.57) | MTORPIK3CA | |
| SCHEMBL12773493 | 0.70 | MTOR (0.63) | MTORPIK3CAHEXAHEXB | |
| SCHEMBL12774625 | 0.69 | MTOR (0.64) | MTORPIK3CACYP1A2 | |
| SCHEMBL6896549 | 0.66 | PIK3CA (0.44) | MTORPIK3CAPDE4D | |
| SCHEMBL856076 | 0.65 | SELE (0.39) | MEN1ALDH1A1LMNAKMT2APDE4D | |
| SCHEMBL558598 | 0.64 | — | — | |
| SCHEMBL11065123 | 0.64 | GABRP (0.41) | MTORNOS3NOS1NOS2GABRP | |
| SCHEMBL21355930 | 0.63 | GABRP (0.52) | NOS3NOS1NOS2GABRPGABRD | |
| SCHEMBL4497002 | 0.63 | BACE1 (0.47) | NOS3NOS1NOS2GABRPGABRD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011092197-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |
| WO-2011092198-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |