Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 7/20 | 0.35 |
| ▸ | KRAS | P01116 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29882178 | 1.00 | TSHR (0.38) | TSHRPLAUTLR7KRASSOS1 | |
| SCHEMBL29882295 | 0.83 | KRAS (0.34) | KRASSOS1CYP1A2ALDH1A1USP2 | |
| SCHEMBL21514180 | 0.83 | KRAS (0.34) | KRASSOS1CYP1A2ALDH1A1USP2 | |
| SCHEMBL21514130 | 0.83 | CYP1A2 (0.42) | TSHRCYP1A2CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL29882809 | 0.83 | CYP1A2 (0.42) | TSHRCYP1A2CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL21514306 | 0.77 | CYP1A2 (0.52) | TSHRCYP1A2CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL29883025 | 0.73 | ALDH1A1 (0.50) | TSHRCYP1A2CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL21514670 | 0.73 | ALDH1A1 (0.50) | TSHRCYP1A2CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL21514305 | 0.71 | TRPV1 (0.41) | TSHRTLR7CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL12393233 | 0.67 | TSHR (0.35) | TSHRPLAUTLR7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019201848-A1 | 2-METHYL-AZA-QUINAZOLINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2019-10-24 | — | — | WO | disclosed |