Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 8/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5946343 | 0.85 | KDM4E (0.52) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A | |
| SCHEMBL5967445 | 0.76 | KDM4E (0.56) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A | |
| SCHEMBL26005316 | 0.74 | PARP1 (0.61) | SMN1; SMN2ALDH1A1PDE3BPDE3A | |
| SCHEMBL8201424 | 0.74 | KDM4E (0.53) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A | |
| SCHEMBL89103 | 0.73 | KDM4E (0.56) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A | |
| SCHEMBL13386907 | 0.73 | BRD4 (0.48) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A | |
| SCHEMBL295046 | 0.72 | KDM4E (0.58) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A | |
| SCHEMBL445148 | 0.72 | KDM4E (0.58) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A | |
| SCHEMBL3596598 | 0.72 | KDM4E (0.55) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A | |
| SCHEMBL1634782 | 0.72 | KDM4E (0.55) | SMN1; SMN2ALDH1A1KDM4EPDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| US-9598432-B2 | 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents | RIGEL PHARMACEUTICALS, INC. (US) | 2017-03-21 | — | — | US | disclosed |