Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD38 | P28907 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3789793 | 0.87 | P2RX7 (0.47) | CD38P2RX7NFKB1PRKCQLMNA | |
| SCHEMBL20511447 | 0.82 | TSHR (0.52) | TSHRNFKB1PDE2ACYP3A4CYP2C19 | |
| SCHEMBL20511207 | 0.79 | DCTPP1 (0.52) | P2RX7TSHRNFKB1LMNA | |
| SCHEMBL31711022 | 0.76 | KCNH3 (0.42) | CD38P2RX7DHFRPRKCQJAK3 | |
| SCHEMBL14503239 | 0.76 | SMN1; SMN2 (0.49) | TSHRLMNA | |
| SCHEMBL15720683 | 0.76 | KCNH3 (0.42) | CD38P2RX7DHFRPRKCQJAK3 | |
| Hydrochloric Acid SCHEMBL15720240 | 0.75 | KCNH3 (0.44) | CD38P2RX7DHFRPRKCQJAK3 | |
| SCHEMBL10126680 | 0.74 | SLC6A4 (0.49) | P2RX7LMNA | |
| SCHEMBL29168139 | 0.73 | P2RX7 (0.46) | P2RX7NFKB1PRKCQLMNACYP3A4 | |
| SCHEMBL16094423 | 0.73 | CD38 (0.42) | CD38P2RX7DHFRPRKCQJAK3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010085246-A1 | 2,4-DIAMINO-1,3,5-TRIAZINE AND 4, 6-DIAMINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS AGGRECANASE INHIBITORS | PRAECIS PHARMACEUTICALS INC (US) | 2010-07-29 | — | — | WO | disclosed |
| WO-2010085246-A1 | 2,4-DIAMINO-1,3,5-TRIAZINE AND 4, 6-DIAMINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS AGGRECANASE INHIBITORS | PRAECIS PHARMACEUTICALS INC (US) | 2010-07-29 | — | — | WO | disclosed |