Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 5/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.33 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.33 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28598700 | 0.83 | GLA (0.41) | ABCB1ALDH1A1ACKR3MEN1KMT2A | |
| SCHEMBL12504926 | 0.81 | GLA (0.39) | — | |
| SCHEMBL28594542 | 0.79 | THRB (0.39) | ALDH1A1HTTMEN1KMT2ANPC1 | |
| SCHEMBL28611297 | 0.79 | ALPL (0.41) | ALDH1A1HTTKMT2AHRH3NPC1 | |
| SCHEMBL8250269 | 0.77 | SLC18A3 (0.43) | ALDH1A1 | |
| SCHEMBL28601412 | 0.76 | CA12 (0.39) | ALDH1A1MEN1KMT2AHRH3NPC1 | |
| SCHEMBL28606349 | 0.76 | KCNH2 (0.44) | ALDH1A1PIM1MEN1KMT2A | |
| SCHEMBL28919027 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HTTMEN1KMT2AHRH3 | |
| SCHEMBL28606329 | 0.74 | KDM4E (0.43) | ALDH1A1 | |
| SCHEMBL28601637 | 0.73 | SMN1; SMN2 (0.43) | ALDH1A1HTTMEN1KMT2AHRH3 |
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 |