Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.56 |
| ▸ | YTHDC1 | Q96MU7 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29601519 | 0.81 | CA1 (0.37) | P2RX7CA1CA2CA9LMNA | |
| SCHEMBL29601570 | 0.76 | P2RX7 (0.54) | P2RX7YTHDC1CYP2D6CYP2C9TSHR | |
| SCHEMBL29601252 | 0.76 | P2RX7 (0.56) | P2RX7YTHDC1CDK1HDAC1HDAC2 | |
| SCHEMBL3422012 | 0.73 | ADORA2A (0.51) | P2RX7YTHDC1CYP2D6CYP2C9TSHR | |
| SCHEMBL30898278 | 0.72 | YTHDC1 (0.68) | P2RX7YTHDC1CYP2C9CYP2C19CDK1 | |
| SCHEMBL183057 | 0.72 | YTHDC1 (0.68) | P2RX7YTHDC1CYP2C9CYP2C19CDK1 | |
| SCHEMBL5161967 | 0.71 | ADORA2A (0.53) | P2RX7YTHDC1CYP2D6CYP2C9TSHR | |
| SCHEMBL29601575 | 0.70 | P2RX7 (0.77) | P2RX7HDAC1HDAC2HDAC8 | |
| SCHEMBL29601518 | 0.69 | P2RX7 (0.53) | P2RX7YTHDC1CDK1HDAC1HDAC2 | |
| SCHEMBL19204899 | 0.67 | P2RX7 (0.61) | P2RX7YTHDC1CA1CA2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3997089-A1 | CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF | University Of Virginia Patent Foundation (US) | 2022-05-18 | — | — | EP | disclosed |