Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | TP53 | P04637 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CCR1 | P32246 | 3/20 | 0.45 |
| ▸ | CCR5 | P51681 | 3/20 | 0.45 |
| ▸ | CCR8 | P51685 | 3/20 | 0.45 |
| ▸ | METAP1 | P53582 | 2/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | CBFB | Q13951 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3423163 | 0.83 | KDM4E (0.50) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL4550924 | 0.81 | KDM4E (0.50) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL29901536 | 0.81 | KDM4E (0.50) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL5330963 | 0.80 | NPC1 (0.49) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL18373403 | 0.79 | KDM4E (0.46) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL28001914 | 0.79 | NPC1 (0.50) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL12070605 | 0.79 | KDM4E (0.46) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL16806017 | 0.78 | KDM4E (0.50) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL30090445 | 0.77 | GRM5 (0.46) | KDM4ETP53NPC1PKMRAB9A | |
| SCHEMBL29769944 | 0.77 | KDM4E (0.45) | KDM4ETP53NPC1PKMRAB9A |
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-106032355-B | A kind of method that pyridine side chain c h bond is direct oxidation into ketone | 中国科学院大连化学物理研究所 | 2019-01-04 | — | — | CN | disclosed |
| CN-106032355-A | Method for directly oxidizing C-H bond in side chain of pyridine into ketone | 中国科学院大连化学物理研究所 | 2016-10-19 | — | — | CN | disclosed |