Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16015426 | 0.87 | TP53 (0.41) | NPC1TP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20109474 | 0.85 | MTNR1A (0.39) | NPC1TP53CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14233716 | 0.73 | HPGD (0.41) | TP53MTNR1AMTNR1BHPGDALOX15 | |
| SCHEMBL3298879 | 0.71 | S1PR4 (0.32) | — | |
| SCHEMBL14233686 | 0.70 | HPGD (0.39) | NPC1TP53HPGDPOLBKDM4E | |
| SCHEMBL19287681 | 0.70 | HPGD (0.39) | NPC1TP53HPGDPOLBKDM4E | |
| SCHEMBL19287563 | 0.69 | HPGD (0.37) | NPC1TP53HPGDPOLBKDM4E | |
| SCHEMBL23015828 | 0.68 | CYP1A2 (0.38) | TP53CYP1A2NR4A2MTNR1APOLB | |
| SCHEMBL12851363 | 0.67 | HRH3 (0.56) | CYP1A2CYP2C19MAPK1HPGDALOX15 | |
| SCHEMBL12815455 | 0.67 | KDM4E (0.41) | CYP1A2CYP2C9CYP2C19NR4A2MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |