Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | BCR | P11274 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL27612697 | 0.88 | RHOA (0.58) | ABL1BCRNPC1RAB9ATYK2 | |
| SCHEMBL27612648 | 0.83 | DHFR (0.54) | ROCK1NPC1RAB9AMAPTCA12 | |
| SCHEMBL5175214 | 0.76 | KDR (0.47) | NPC1RAB9AKDM4ESMN1; SMN2TP53 | |
| SCHEMBL27612350 | 0.76 | MAPT (0.42) | KDM4ETP53MAPTSYKPOLB | |
| SCHEMBL2124418 | 0.74 | NFKB1 (0.57) | ABL1BCRSRCROCK1PDE5A | |
| SCHEMBL4544820 | 0.74 | KDM4E (0.60) | ABL1BCRSRCROCK1PDE5A | |
| SCHEMBL797425 | 0.74 | ROCK1 (0.58) | ABL1BCRSRCROCK1PDE5A | |
| SCHEMBL29818299 | 0.73 | ABL1 (0.57) | ABL1BCRSRCROCK1PDE5A | |
| SCHEMBL28753638 | 0.73 | ADORA1 (0.59) | ABL1SRCABCG2SYK | |
| SCHEMBL27040002 | 0.73 | ABL1 (0.57) | ABL1BCRSRCROCK1PDE5A |
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 |