Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL6766702 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL28469893 | 0.85 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL10455227 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL17971132 | 0.77 | PYCR1 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL21924472 | 0.76 | CYP3A4 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL9428903 | 0.76 | KDM4E (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL3397750 | 0.75 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL487492 | 0.75 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL12500449 | 0.74 | KDM4E (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL13259162 | 0.74 | KDM4E (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19THPO |
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-111423563-B | For detecting Fe3+Fused heterocyclic conjugated polymer and preparation method and application thereof | 陕西师范大学 | 2022-05-27 | — | — | CN | disclosed |
| US-6686345-B2 | INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. | RESEARCH DEVELOPMENT FOUNDATION | 2004-02-03 | — | — | US | disclosed |