Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL414791 | 0.85 | NAMPT (0.46) | HDAC4HDAC6NAMPTALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL29099329 | 0.84 | NAMPT (0.45) | HDAC4HDAC6NAMPTALDH1A1CYP2C9 | |
| SCHEMBL28317573 | 0.73 | ALDH1A1 (0.44) | NAMPTKDM4EALDH1A1SMN1; SMN2ACACB | |
| SCHEMBL23042189 | 0.70 | CHRNA4 (0.36) | ALDH1A1SMN1; SMN2CYP2C9CYP2C19ACACB | |
| SCHEMBL3139874 | 0.67 | ALDH1A1 (0.35) | NAMPTALDH1A1ACACBMAPTMEN1 | |
| SCHEMBL15419308 | 0.66 | NPC1 (0.46) | ALDH1A1ACACBCYP1A2MAPTHTT | |
| SCHEMBL15465637 | 0.66 | HDAC4 (0.40) | HDAC4HDAC6NAMPTKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL28665424 | 0.66 | CHRNA4 (0.41) | KDM4EALDH1A1CYP2C19ACACBCYP1A2 | |
| SCHEMBL3827774 | 0.64 | TBXAS1 (0.43) | KDM4EALDH1A1HPGDSMN1; SMN2CYP2C19 | |
| SCHEMBL29088542 | 0.63 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDPOLBHTT |
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-114874222-A | Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA | 百时美施贵宝公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-114805365-A | Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA | 百时美施贵宝公司 | 2022-07-29 | — | — | CN | disclosed |