Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.35 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16874288 | 0.89 | CYP1A2 (0.37) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL953069 | 0.81 | CYP1A2 (0.44) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL5748095 | 0.79 | CYP1A2 (0.51) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL30419498 | 0.79 | CYP1A2 (0.51) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL28206607 | 0.73 | CYP1A2 (0.39) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL31690942 | 0.72 | CYP11B1 (0.38) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL276287 | 0.71 | RECQL (0.47) | CYP1A2RECQLKMOSLC22A12ELANE | |
| SCHEMBL9934408 | 0.71 | RECQL (0.61) | CYP1A2RECQLKMODDB1CRBN | |
| SCHEMBL30755148 | 0.71 | RECQL (0.56) | CYP1A2RECQLKMOPDE10AADRA2A | |
| SCHEMBL4287336 | 0.71 | RECQL (0.56) | CYP1A2RECQLKMOPDE10AADRA2A |
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-4003340-A2 | ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS | Angion Biomedica Corp. (US) | 2022-06-01 | — | — | EP | claimed |
| EP-4003340-A2 | ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS | Angion Biomedica Corp. (US) | 2022-06-01 | — | — | EP | disclosed |