Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30104625 | 0.89 | ALDH1A1 (0.64) | ALDH1A1MAPTHTTKDM4ERAB9A | |
| SCHEMBL20511532 | 0.89 | ALDH1A1 (0.64) | ALDH1A1MAPTHTTKDM4ERAB9A | |
| SCHEMBL212946 | 0.85 | CYP1A2 (0.65) | CYP1A2CYP2D6CYP2C19ALDH1A1MAPT | |
| SCHEMBL1926359 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C19ALDH1A1MAPT | |
| SCHEMBL1852361 | 0.82 | CYP2D6 (0.88) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL1516573 | 0.82 | ALDH1A1 (0.67) | ALDH1A1MAPTHTTKDM4EMEN1 | |
| SCHEMBL17609969 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C19ALDH1A1MAPT | |
| SCHEMBL23628977 | 0.80 | ALDH1A1 (0.58) | CYP1A2CYP2D6CYP2C19ALDH1A1MAPT | |
| SCHEMBL23325984 | 0.79 | ALDH1A1 (0.56) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL14785100 | 0.79 | ALDH1A1 (0.59) | CYP1A2CYP2D6CYP2C19ALDH1A1MAPT |
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 |