Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL637552 | 0.81 | PI4KA (0.56) | LMNAPI4KAPI4K2BPI4K2API4KB | |
| Benzene SCHEMBL27304475 | 0.79 | ADORA2A (0.55) | LMNAPI4KAPI4K2BPI4K2API4KB | |
| Ethane SCHEMBL27889933 | 0.79 | PI4KA (0.54) | LMNAPI4KAPI4K2BPI4K2API4KB | |
| Hydrazine SCHEMBL27389392 | 0.77 | PI4KA (0.57) | LMNAPI4KAPI4K2BPI4K2API4KB | |
| Chlorobenzene SCHEMBL27871510 | 0.75 | PDE4A (0.55) | LMNAPI4KAPI4K2BPI4K2API4KB | |
| Phenanthridine SCHEMBL30034583 | 0.73 | KDM4E (0.65) | LMNACYP1A2RAB9ANPC1ALDH1A1 | |
| Triphenylene SCHEMBL28448942 | 0.73 | PTPN1 (0.41) | CYP1A2ALDH1A1SMN1; SMN2MAPK1 | |
| Triphenylene SCHEMBL1615352 | 0.73 | PTPN1 (0.41) | CYP1A2ALDH1A1SMN1; SMN2MAPK1 | |
| Triphenylene SCHEMBL28454338 | 0.73 | PTPN1 (0.41) | CYP1A2ALDH1A1SMN1; SMN2MAPK1 | |
| Quinoxaline SCHEMBL28065589 | 0.72 | ALDH1A1 (0.37) | RAB9ANPC1ALDH1A1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105636958-B | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-106986863-A | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-106977495-A | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2017-07-25 | — | — | CN | disclosed |
| CN-104640852-B | DNA-PK inhibitors | 沃泰克斯药物股份有限公司 | 2017-04-26 | — | — | CN | disclosed |