Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL10440962 | 0.82 | NPC1 (0.41) | MAPTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL31453311 | 0.80 | ALDH1A1 (0.41) | ACHEMAPTMEN1KMT2ANPC1 | |
| SCHEMBL12480081 | 0.80 | PTGS2 (0.41) | MEN1KMT2ANPC1KDM4EL3MBTL1 | |
| SCHEMBL28528548 | 0.79 | CA1 (0.35) | MAPTKDM4EALDH1A1MAOALOX | |
| SCHEMBL28702808 | 0.79 | MAPK1 (0.34) | MAPTMEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL6703319 | 0.76 | MAOB (0.46) | MAPTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL28685303 | 0.76 | CA2 (0.51) | L3MBTL1HTT | |
| SCHEMBL6678718 | 0.76 | STS (0.46) | L3MBTL1GAA | |
| SCHEMBL11782542 | 0.75 | ALDH1A1 (0.49) | MAPTKMT2AKDM4EL3MBTL1SMN1; SMN2 | |
| SCHEMBL811253 | 0.75 | TSHR (0.44) | MEN1KMT2ANPC1RECQLSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |