Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | LTA4H | P09960 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28436255 | 0.76 | RARB (0.40) | CYP2D6ALDH1A1LTA4HNPC1RAB9A | |
| SCHEMBL28493240 | 0.76 | RARB (0.40) | CYP2D6ALDH1A1LTA4HNPC1RAB9A | |
| SCHEMBL29138302 | 0.74 | ALOX15 (0.39) | KMT2AALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL27620956 | 0.74 | CHRNB4 (0.30) | CYP2D6 | |
| SCHEMBL27642638 | 0.73 | ALDH1A1 (0.36) | ALDH1A1NPC1RAB9ATP53GAA | |
| SCHEMBL27894220 | 0.72 | GSTP1 (0.41) | KMT2ANPC1RAB9AMEN1GAA | |
| SCHEMBL1858806 | 0.72 | HRH3 (0.49) | ESR1ESR2LTA4HHRH3ACHE | |
| SCHEMBL28098902 | 0.71 | MAPT (0.40) | KMT2AESR2MEN1TP53 | |
| SCHEMBL27910483 | 0.71 | MAPT (0.40) | KMT2AESR2MEN1TP53 | |
| SCHEMBL28295369 | 0.69 | ESR1 (0.30) | ESR1ESR2 |
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-110642865-B | Application of high-charge cationic porphyrin in preparation of PDT nano photosensitizer | 天津大学 | 2021-12-07 | — | — | CN | disclosed |
| CN-110642865-A | Application of high-charge cationic porphyrin in preparation of PDT nano photosensitizer | 天津大学 | 2020-01-03 | — | — | CN | disclosed |