Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL18834247 | 0.75 | P2RX3 (0.35) | — | |
| SCHEMBL19375553 | 0.73 | ALDH1A1 (0.40) | ALDH1A1HTTPDE5ATSHRBRD4 | |
| SCHEMBL19374868 | 0.72 | P2RX3 (0.36) | TSHRBRD4LMNA | |
| SCHEMBL19375011 | 0.72 | P2RX3 (0.42) | — | |
| SCHEMBL18833781 | 0.69 | TSHR (0.37) | PDE5ATSHRBRD4PDE4APDE4B | |
| SCHEMBL19375602 | 0.69 | ADORA3 (0.43) | ALDH1A1HIF1ACYP1A2CYP2C9USP2 | |
| SCHEMBL18834480 | 0.68 | TP53 (0.35) | ALDH1A1HTTPDE5AUSP2TSHR | |
| SCHEMBL8007895 | 0.67 | PDE5A (0.39) | ALDH1A1PDE5ATSHRBRD4 | |
| SCHEMBL18833638 | 0.67 | USP1 (0.38) | ALDH1A1HTTMAPTLMNA | |
| SCHEMBL20432418 | 0.65 | ALDH1A1 (0.47) | ALDH1A1HTTPDE5ACYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970303-B9 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-09-20 | — | — | EP | disclosed |
| EP-2970303-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-05-10 | — | — | EP | disclosed |