Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18007055 | 0.86 | IDO1 (0.50) | IDO1SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL488748 | 0.84 | IDO1 (0.59) | IDO1SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL29616489 | 0.84 | IDO1 (0.59) | IDO1SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL27975927 | 0.81 | DAO (0.51) | IDO1SLC6A4 | |
| SCHEMBL2296868 | 0.81 | KDM1A (0.41) | IDO1SLC6A4GPR183 | |
| SCHEMBL7782539 | 0.81 | IDO1 (0.61) | IDO1SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL22445529 | 0.81 | IDO1 (0.56) | IDO1SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL17071866 | 0.81 | IDO1 (0.56) | IDO1SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL1538597 | 0.79 | IDO1 (0.63) | IDO1SLC6A2SLC6A4HDAC3HDAC1 | |
| SCHEMBL27851289 | 0.79 | POLQ (0.43) | IDO1SLC6A4P2RX7GPR183 |
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-103265477-A | Aminoheteroaryl compounds as protein kinase inhibitors | SUGEN INC | 2013-08-28 | — | — | CN | disclosed |
| CN-101023064-B | Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors | PFIZER | 2011-02-16 | — | — | CN | disclosed |
| CN-101023064-A | Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors | AGOURON PHARMA (US) | 2007-08-22 | — | — | CN | disclosed |