Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 18/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 18/20 | 0.50 |
| ▸ | TSHR | P16473 | 9/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 11/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | CASP7 | P55210 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29883025 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CYP1A2TSHRMAPK1CYP3A4 | |
| SCHEMBL21514306 | 0.80 | CYP1A2 (0.52) | ALDH1A1CYP1A2TSHRMAPK1CYP3A4 | |
| SCHEMBL29882809 | 0.80 | CYP1A2 (0.42) | ALDH1A1CYP1A2TSHRMAPK1CYP3A4 | |
| SCHEMBL21514130 | 0.80 | CYP1A2 (0.42) | ALDH1A1CYP1A2TSHRMAPK1CYP3A4 | |
| SCHEMBL21514180 | 0.77 | KRAS (0.34) | ALDH1A1CYP1A2MEN1KMT2AHSD17B10 | |
| SCHEMBL29882295 | 0.77 | KRAS (0.34) | ALDH1A1CYP1A2MEN1KMT2AHSD17B10 | |
| SCHEMBL29882178 | 0.73 | TSHR (0.38) | ALDH1A1CYP1A2TSHRMAPK1CYP3A4 | |
| SCHEMBL21514178 | 0.73 | TSHR (0.38) | ALDH1A1CYP1A2TSHRMAPK1CYP3A4 | |
| SCHEMBL21514414 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP1A2TSHRMAPK1CYP3A4 | |
| SCHEMBL17486267 | 0.73 | LMNA (0.46) | ALDH1A1CYP1A2TSHRMAPK1CYP3A4 |
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 |