Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Propene SCHEMBL27507856 | 0.90 | ALDH1A1 (0.61) | CYP2A6ALDH1A1TDP1TP53RAB9A | |
| SCHEMBL14911 | 0.89 | — | — | |
| SCHEMBL679555 | 0.89 | ALDH1A1 (0.69) | CYP2A6ALDH1A1TDP1TP53RAB9A | |
| Formic Acid SCHEMBL8861832 | 0.88 | CYP2A6 (0.54) | CYP2A6ALDH1A1TDP1TP53RAB9A | |
| Ethane SCHEMBL23051531 | 0.87 | ALDH1A1 (0.65) | CYP2A6ALDH1A1TDP1TP53RAB9A | |
| Hydrochloric Acid SCHEMBL9861440 | 0.87 | ALDH1A1 (0.65) | CYP2A6ALDH1A1TDP1TP53RAB9A | |
| Hydrochloric Acid SCHEMBL9861453 | 0.87 | ALDH1A1 (0.65) | CYP2A6ALDH1A1TDP1TP53RAB9A | |
| Ethylene SCHEMBL10713150 | 0.87 | ALDH1A1 (0.65) | CYP2A6ALDH1A1TDP1TP53RAB9A | |
| Ammonia Solution, Strong SCHEMBL9397572 | 0.87 | ALDH1A1 (0.65) | CYP2A6ALDH1A1TDP1TP53RAB9A | |
| Charcoal, Activated SCHEMBL9462746 | 0.87 | ALDH1A1 (0.65) | CYP2A6ALDH1A1TDP1TP53RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116791109-A | Method for realizing efficient and green electrocatalytic olefin oxidation through porphyrin manganese complex | 大连理工大学 | 2023-09-22 | — | — | CN | disclosed |