Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11270909 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL30239333 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL20252484 | 0.86 | TNF (0.46) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL20252481 | 0.86 | TNF (0.46) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL20256465 | 0.86 | TNF (0.46) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL2607319 | 0.85 | LMNA (0.53) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL29669126 | 0.84 | TNF (0.45) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL20238239 | 0.84 | TNF (0.45) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL29669200 | 0.84 | TNF (0.45) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL20238236 | 0.84 | TNF (0.45) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111518166-B | Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-111518166-A | Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2020-08-11 | — | — | CN | disclosed |