Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20203208 | 1.00 | GPR84 (0.44) | GPR84TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL28146626 | 0.78 | TRPA1 (0.42) | LMNAAOC3SMN1; SMN2HDAC4HDAC7 | |
| SCHEMBL8168160 | 0.76 | HTR2A (0.39) | CYP2A6CYP1A2CYP2C19SLC6A4SLC6A3 | |
| SCHEMBL20203346 | 0.76 | ADRB2 (0.44) | GPR84TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL2879915 | 0.76 | HTR2A (0.39) | CYP2A6CYP1A2CYP2C19SLC6A4SLC6A3 | |
| SCHEMBL20187547 | 0.76 | HTR2A (0.39) | CYP2A6CYP1A2CYP2C19SLC6A4SLC6A3 | |
| SCHEMBL3029682 | 0.76 | GABBR2 (0.46) | GPR84TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL16212388 | 0.76 | TSHR (0.41) | GPR84TSHRMAPK1HIF1ATDP1 | |
| SCHEMBL746303 | 0.76 | CA1 (0.32) | — | |
| SCHEMBL5597894 | 0.75 | TRPA1 (0.45) | TSHRLMNACYP2D6 |
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-3544979-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | H. Hoffnabb-La Roche Ag (CH) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018096159-A1 | OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-31 | — | — | WO | disclosed |