Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| M-Xylene SCHEMBL27790156 | 0.83 | ACHE (0.60) | ACHETP53TDP1ALDH1A1MAPK1 | |
| Toluene SCHEMBL458351 | 0.83 | LMNA (0.55) | ACHEALDH1A1LMNANPC1TSHR | |
| M-Xylene SCHEMBL25222375 | 0.82 | ACHE (0.67) | ACHETP53TDP1ALDH1A1MAPK1 | |
| M-Xylene SCHEMBL28804955 | 0.79 | ACHE (0.71) | ACHETP53TDP1ALDH1A1MAPK1 | |
| M-Xylene SCHEMBL28292894 | 0.77 | ACHE (0.67) | ACHETP53TDP1ALDH1A1MAPK1 | |
| M-Xylene SCHEMBL27973955 | 0.77 | ACHE (0.67) | ACHETP53TDP1ALDH1A1MAPK1 | |
| M-Xylene SCHEMBL891494 | 0.76 | ACHE (1.00) | ACHETP53TDP1ALDH1A1MAPK1 | |
| M-Xylene SCHEMBL6397624 | 0.76 | — | — | |
| M-Xylene SCHEMBL28189 | 0.76 | — | — | |
| M-Xylene SCHEMBL28075710 | 0.75 | ACHE (0.63) | ACHETP53TDP1ALDH1A1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1654238-A1 | 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | AMGEN INC. (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005009978-A1 | 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | AMGEN INC. (US) | 2005-02-03 | — | — | WO | disclosed |