Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 4/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.64 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5749835 | 0.98 | ADORA2A (0.65) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL29861015 | 0.90 | HSP90AA1 (0.51) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL17969961 | 0.86 | MEN1 (0.50) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL14725231 | 0.86 | MAPT (0.54) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL17969965 | 0.86 | MEN1 (0.50) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL17547281 | 0.86 | CYP1A2 (0.71) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL19784903 | 0.83 | MEN1 (0.67) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL18731813 | 0.83 | KMT2A (0.48) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL18086414 | 0.83 | MEN1 (0.48) | ADORA2AADORA1MEN1KMT2AMAPT | |
| SCHEMBL12306181 | 0.83 | MEN1 (0.54) | ADORA2AADORA1MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | claimed |