Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL2594536 | 0.87 | — | — | |
| Tetrahydrofuran SCHEMBL6549977 | 0.87 | ALDH1A1 (0.67) | ALDH1A1 | |
| Tetrahydrofuran SCHEMBL27497038 | 0.87 | — | — | |
| Tetrahydrofuran SCHEMBL3405861 | 0.83 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| Tetrahydrofuran SCHEMBL28263987 | 0.83 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL18856382 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| Pyrrolidine SCHEMBL27584439 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| Tetrahydrofuran SCHEMBL27575002 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| Pyrrolidine SCHEMBL7216522 | 0.80 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| Azetidine SCHEMBL27852693 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101023064-B | Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors | PFIZER | 2011-02-16 | — | — | CN | disclosed |
| CN-101115760-B | Pyrrolopyrazoles, potent kinase inhibitors | PFIZER | 2010-11-03 | — | — | CN | disclosed |
| CN-101018780-A | Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors | AGOURON PHARMA (US) | 2007-08-15 | — | — | CN | disclosed |