Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 7/20 | 0.48 |
| ▸ | EYA3 | Q99504 | 3/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL11638728 | 0.83 | CYP2C19 (0.47) | CYP2C19EYA3SLC22A12CYP2C9KMT2A | |
| SCHEMBL14299512 | 0.82 | CYP2C19 (0.54) | CYP2C19EYA3SLC22A12CYP2C9KMT2A | |
| Hydrochloric Acid SCHEMBL11637777 | 0.74 | CYP2C19 (0.50) | CYP2C19EYA3SLC22A12CYP2C9KMT2A | |
| SCHEMBL11640926 | 0.74 | CYP2C19 (0.50) | CYP2C19EYA3SLC22A12CYP2C9KMT2A | |
| SCHEMBL11637773 | 0.73 | CYP2C19 (0.49) | CYP2C19EYA3SLC22A12CYP2C9KMT2A | |
| SCHEMBL11635688 | 0.73 | CYP2C19 (0.49) | CYP2C19EYA3SLC22A12CYP2C9KMT2A | |
| SCHEMBL4806386 | 0.72 | CYP2C19 (0.69) | CYP2C19EYA3SLC22A12CYP2C9ALDH1A1 | |
| SCHEMBL11637718 | 0.71 | EYA3 (0.42) | CYP2C19EYA3SLC22A12CYP2C9KMT2A | |
| SCHEMBL11638070 | 0.71 | CYP2C19 (0.47) | CYP2C19EYA3SLC22A12CYP2C9KMT2A | |
| SCHEMBL665373 | 0.71 | CYP2C19 (0.47) | CYP2C19EYA3SLC22A12CYP2C9KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114057605-B | Method for producing nitrile by gas phase dehydration | 化学与精细化工广东省实验室 | 2024-02-20 | — | — | CN | disclosed |
| CN-114057605-A | Method for preparing nitrile by gas phase dehydration | 化学与精细化工广东省实验室 | 2022-02-18 | — | — | CN | disclosed |
| US-4124710-A | HYPOTENSIVE AGENTS | LABAZ (FR) | 1978-11-07 | — | — | US | disclosed |