Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28614883 | 0.83 | PDE4D (0.47) | SMN1; SMN2KMT2APTGS2ALDH1A1LMNA | |
| SCHEMBL28603778 | 0.78 | HTR2C (0.46) | KMT2APOLBPDE4BPDE7APDE4D | |
| SCHEMBL28598693 | 0.73 | S100A4 (0.45) | SMN1; SMN2KMT2ALMNAKDM4EMAPK1 | |
| SCHEMBL28594542 | 0.68 | THRB (0.39) | SMN1; SMN2KMT2AALDH1A1LMNANPC1 | |
| SCHEMBL7211955 | 0.67 | PTGS2 (0.62) | PTGS2 | |
| SCHEMBL28601406 | 0.65 | TUBB4A (0.46) | ALDH1A1LMNAPOLBPDE4DNPSR1 | |
| SCHEMBL7215320 | 0.64 | PTGS2 (0.63) | PTGS2 | |
| SCHEMBL8502455 | 0.64 | PTGS2 (0.47) | KMT2APTGS2ALDH1A1LMNAPOLB | |
| SCHEMBL8502462 | 0.63 | PTGS2 (0.51) | PTGS2 | |
| SCHEMBL28602234 | 0.63 | ALDH1A1 (0.46) | SMN1; SMN2KMT2AALDH1A1LMNANPC1 |
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-113200983-A | Compound with pyrrolopyridine structure, preparation method and medical application | 中国药科大学 | 2021-08-03 | — | — | CN | disclosed |