Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CCR1 | P32246 | 3/20 | 0.43 |
| ▸ | CCR5 | P51681 | 3/20 | 0.43 |
| ▸ | CCR8 | P51685 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 7/20 | 0.38 |
| ▸ | TP53 | P04637 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12786267 | 0.82 | KDM4E (0.46) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL16545674 | 0.79 | KDM4E (0.43) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL28354903 | 0.79 | KDM4E (0.43) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL28692369 | 0.77 | MAPT (0.54) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL28695551 | 0.77 | MAPT (0.54) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL23014193 | 0.77 | MAPT (0.54) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL31190898 | 0.77 | MAPT (0.54) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL6255226 | 0.76 | DRD2 (0.45) | LMNAPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17709140 | 0.76 | CNR2 (0.43) | KDM4ELMNACYP1A2CCR1CCR5 | |
| SCHEMBL3678013 | 0.76 | NPC1 (0.56) | KDM4ELMNACYP1A2CCR1CCR5 |
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-111690009-B | Phosphine pyridine oxazoline compound, metal complex, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2021-11-02 | — | — | CN | claimed |
| CN-111690009-A | Phosphine pyridine oxazoline compound, metal complex, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2020-09-22 | — | — | CN | claimed |