Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27612710 | 0.89 | NEK2 (0.58) | NEK2CHEK1KDM4EDHFRMKNK1 | |
| SCHEMBL2849165 | 0.86 | GAA (0.51) | GAAKDM4ENPC1CASP3RAB9A | |
| SCHEMBL27612634 | 0.84 | CA12 (0.47) | GAAKDM4ENPC1CASP3RAB9A | |
| SCHEMBL27631564 | 0.81 | DHFR (0.52) | PIK3CAKMT2AKDM4EDHFRALDH1A1 | |
| SCHEMBL27612534 | 0.81 | MBOAT4 (0.43) | GAAKMT2ANPC1CASP3RAB9A | |
| SCHEMBL27631625 | 0.81 | NEK2 (0.46) | NEK2KDM4ERAB9ADHODHDHFR | |
| SCHEMBL27612368 | 0.79 | DHFR (0.51) | GAAKMT2AKDM4ENPC1RAB9A | |
| SCHEMBL188522 | 0.78 | DHODH (0.52) | NEK2PIK3CAKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL27631926 | 0.78 | PIK3CG (0.48) | GAAPIK3CAKMT2AKDM4ENPC1 | |
| SCHEMBL27612648 | 0.77 | DHFR (0.54) | NPC1RAB9ADHFRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |